smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000125724492 1165761369 /nfs/dbraw/zinc/76/13/69/1165761369.db2.gz YPPOYBROABPZIK-LBPRGKRZSA-N 2 2 212.381 2.497 10 0 BEAELP CCC(CC)C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000125724492 1165761379 /nfs/dbraw/zinc/76/13/79/1165761379.db2.gz YPPOYBROABPZIK-LBPRGKRZSA-N 2 2 212.381 2.497 10 0 BEAELP CCC[C@H](CC)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336664807 398178252 /nfs/dbraw/zinc/17/82/52/398178252.db2.gz CXQIQQZYRSKIPW-AGIUHOORSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[C@H](CC)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336664807 398178253 /nfs/dbraw/zinc/17/82/53/398178253.db2.gz CXQIQQZYRSKIPW-AGIUHOORSA-N 2 2 212.381 2.495 10 0 BEAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccco1 ZINC000396731738 398167341 /nfs/dbraw/zinc/16/73/41/398167341.db2.gz YZFHNUFLWYDRBQ-VWYCJHECSA-N 2 2 208.305 2.071 10 0 BEAELP Cc1cc(NC(=O)c2cccc(C[NH3+])c2)cc[nH+]1 ZINC000082698010 178150134 /nfs/dbraw/zinc/15/01/34/178150134.db2.gz QJXMZNPSWQXPAI-UHFFFAOYSA-N 2 2 241.294 2.101 10 0 BEAELP Cc1cc(NC[C@H](C)[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000038029311 178168357 /nfs/dbraw/zinc/16/83/57/178168357.db2.gz LBLPRQAMBXNUEQ-LBPRGKRZSA-N 2 2 248.374 2.380 10 0 BEAELP Cc1cc(N[C@H](CC(C)C)C[NH+](C)C)nc[nH+]1 ZINC000049558090 178187273 /nfs/dbraw/zinc/18/72/73/178187273.db2.gz BUSSFNKICQRATO-GFCCVEGCSA-N 2 2 236.363 2.173 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000336775724 398237470 /nfs/dbraw/zinc/23/74/70/398237470.db2.gz ZUJBQMXSZWRNJF-RWMBFGLXSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000336775724 398237473 /nfs/dbraw/zinc/23/74/73/398237473.db2.gz ZUJBQMXSZWRNJF-RWMBFGLXSA-N 2 2 224.392 2.495 10 0 BEAELP Cc1cc2[nH+]cn(CC[C@H](C)[NH3+])c2cc1C ZINC000020429239 178305837 /nfs/dbraw/zinc/30/58/37/178305837.db2.gz LJQPHWVKLPRSED-NSHDSACASA-N 2 2 217.316 2.390 10 0 BEAELP Cc1cc2[nH]c([C@@H](C)C[NH3+])[nH+]c2cc1C ZINC000054334385 178303475 /nfs/dbraw/zinc/30/34/75/178303475.db2.gz PQGWTTMQFMAMOX-VIFPVBQESA-N 2 2 203.289 2.242 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000040502173 343996735 /nfs/dbraw/zinc/99/67/35/343996735.db2.gz NBMFTUNBKDOAIX-STQMWFEESA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000040502173 343996739 /nfs/dbraw/zinc/99/67/39/343996739.db2.gz NBMFTUNBKDOAIX-STQMWFEESA-N 2 2 212.381 2.495 10 0 BEAELP CCC(CC)[N@H+](CCO)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042513321 168374372 /nfs/dbraw/zinc/37/43/72/168374372.db2.gz DGIKIJLDVJATCK-UONOGXRCSA-N 2 2 242.407 2.129 10 0 BEAELP CCC(CC)[N@@H+](CCO)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042513321 168374374 /nfs/dbraw/zinc/37/43/74/168374374.db2.gz DGIKIJLDVJATCK-UONOGXRCSA-N 2 2 242.407 2.129 10 0 BEAELP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381590592 398265213 /nfs/dbraw/zinc/26/52/13/398265213.db2.gz LITLLXCFUNTQPF-QWRGUYRKSA-N 2 2 232.318 2.235 10 0 BEAELP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381590592 398265217 /nfs/dbraw/zinc/26/52/17/398265217.db2.gz LITLLXCFUNTQPF-QWRGUYRKSA-N 2 2 232.318 2.235 10 0 BEAELP CCC(CC)[C@@H](C[NH3+])[N@H+](C)Cc1cccnc1 ZINC000036770878 168399792 /nfs/dbraw/zinc/39/97/92/168399792.db2.gz XGVRPPZWCVPQMK-CQSZACIVSA-N 2 2 235.375 2.277 10 0 BEAELP CCC(CC)[C@@H](C[NH3+])[N@@H+](C)Cc1cccnc1 ZINC000036770878 168399794 /nfs/dbraw/zinc/39/97/94/168399794.db2.gz XGVRPPZWCVPQMK-CQSZACIVSA-N 2 2 235.375 2.277 10 0 BEAELP CC[NH+](CC)CC[NH2+]C[C@H]1CC=CCC1 ZINC000020089693 342968699 /nfs/dbraw/zinc/96/86/99/342968699.db2.gz IZXVBBFLYJWRIA-ZDUSSCGKSA-N 2 2 210.365 2.274 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H](C)C(C)C ZINC000036787575 187249789 /nfs/dbraw/zinc/24/97/89/187249789.db2.gz IUDVKICZHWJTJD-RYUDHWBXSA-N 2 2 200.370 2.336 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)C(C)C ZINC000036787575 187249791 /nfs/dbraw/zinc/24/97/91/187249791.db2.gz IUDVKICZHWJTJD-RYUDHWBXSA-N 2 2 200.370 2.336 10 0 BEAELP C[C@@H](C[NH+](C)C)[NH2+]CC1CCC(C)CC1 ZINC000130232947 136372711 /nfs/dbraw/zinc/37/27/11/136372711.db2.gz UUZDNBSCWDJJGG-CPCZMJQVSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000308953576 346942149 /nfs/dbraw/zinc/94/21/49/346942149.db2.gz YKVHLJSKVFIJGO-MROQNXINSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000308953576 346942153 /nfs/dbraw/zinc/94/21/53/346942153.db2.gz YKVHLJSKVFIJGO-MROQNXINSA-N 2 2 210.365 2.105 10 0 BEAELP CC(C)[C@@](C)(C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000041053582 187264295 /nfs/dbraw/zinc/26/42/95/187264295.db2.gz LUBMAKJEXNKBPI-CYBMUJFWSA-N 2 2 238.400 2.480 10 0 BEAELP CC(C)[C@@](C)(C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000041053582 187264296 /nfs/dbraw/zinc/26/42/96/187264296.db2.gz LUBMAKJEXNKBPI-CYBMUJFWSA-N 2 2 238.400 2.480 10 0 BEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(C)C ZINC000178291890 346950818 /nfs/dbraw/zinc/95/08/18/346950818.db2.gz YZDOOOULNLIRFO-ZDUSSCGKSA-N 2 2 221.348 2.312 10 0 BEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(C)C ZINC000178291890 346950823 /nfs/dbraw/zinc/95/08/23/346950823.db2.gz YZDOOOULNLIRFO-ZDUSSCGKSA-N 2 2 221.348 2.312 10 0 BEAELP CC[C@@H]1C[N@H+](C[C@H]([NH3+])CC(C)C)CCS1 ZINC000133067023 344313206 /nfs/dbraw/zinc/31/32/06/344313206.db2.gz UCLVNBSPYMTYRA-VXGBXAGGSA-N 2 2 230.421 2.187 10 0 BEAELP CC[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(C)C)CCS1 ZINC000133067023 344313207 /nfs/dbraw/zinc/31/32/07/344313207.db2.gz UCLVNBSPYMTYRA-VXGBXAGGSA-N 2 2 230.421 2.187 10 0 BEAELP CCC[C@@H](C)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000133137912 344313729 /nfs/dbraw/zinc/31/37/29/344313729.db2.gz RWGRUPSTUBZCAR-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[C@@H](C)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000133137912 344313730 /nfs/dbraw/zinc/31/37/30/344313730.db2.gz RWGRUPSTUBZCAR-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP C[C@H](c1ccsc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000224394135 344910257 /nfs/dbraw/zinc/91/02/57/344910257.db2.gz MAOQDTVHBUZJAM-MWLCHTKSSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H](c1ccsc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000224394135 344910261 /nfs/dbraw/zinc/91/02/61/344910261.db2.gz MAOQDTVHBUZJAM-MWLCHTKSSA-N 2 2 210.346 2.232 10 0 BEAELP C([C@@H]1CCC2(CCCC2)C[NH2+]1)[NH+]1CCCC1 ZINC000667582275 537884314 /nfs/dbraw/zinc/88/43/14/537884314.db2.gz PMZDUQHXEQLVID-ZDUSSCGKSA-N 2 2 222.376 2.395 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1ccccc1OCc1ccccc1 ZINC000044468992 345084954 /nfs/dbraw/zinc/08/49/54/345084954.db2.gz CADMDHLGOQJMJH-CQSZACIVSA-N 2 2 242.322 2.224 10 0 BEAELP CC(C)C[C@H](C[NH2+][C@H]1CCCSC1)[NH+](C)C ZINC000061572296 187361172 /nfs/dbraw/zinc/36/11/72/187361172.db2.gz UCQBRAJSNFFMGE-QWHCGFSZSA-N 2 2 244.448 2.448 10 0 BEAELP Cc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)c1 ZINC000043501468 179072653 /nfs/dbraw/zinc/07/26/53/179072653.db2.gz SFNCLFRUMTYFFM-AWEZNQCLSA-N 2 2 218.344 2.179 10 0 BEAELP Cc1cccc(C[N@H+](C)[C@H]2CCC[NH2+]C2)c1 ZINC000043501468 179072655 /nfs/dbraw/zinc/07/26/55/179072655.db2.gz SFNCLFRUMTYFFM-AWEZNQCLSA-N 2 2 218.344 2.179 10 0 BEAELP Cc1cccc(N[C@H]2CCCC[C@@H]2[NH3+])[nH+]1 ZINC000038051138 179158065 /nfs/dbraw/zinc/15/80/65/179158065.db2.gz VWAAFHGBCXJUPN-QWRGUYRKSA-N 2 2 205.305 2.072 10 0 BEAELP Cc1cccc(N[C@@H]2CCCC[C@@H]2[NH3+])[nH+]1 ZINC000038051137 179154837 /nfs/dbraw/zinc/15/48/37/179154837.db2.gz VWAAFHGBCXJUPN-WDEREUQCSA-N 2 2 205.305 2.072 10 0 BEAELP Cc1cccc(OCC[N@@H+](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000104360307 179166419 /nfs/dbraw/zinc/16/64/19/179166419.db2.gz NLKMKFJMJXVUNX-CQSZACIVSA-N 2 2 248.370 2.058 10 0 BEAELP Cc1cccc(OCC[N@H+](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000104360307 179166421 /nfs/dbraw/zinc/16/64/21/179166421.db2.gz NLKMKFJMJXVUNX-CQSZACIVSA-N 2 2 248.370 2.058 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)C2CC2)c1 ZINC000037080683 179199378 /nfs/dbraw/zinc/19/93/78/179199378.db2.gz LNERXTSPRHPBQZ-ZDUSSCGKSA-N 2 2 204.317 2.089 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)C2CC2)c1 ZINC000037080683 179199381 /nfs/dbraw/zinc/19/93/81/179199381.db2.gz LNERXTSPRHPBQZ-ZDUSSCGKSA-N 2 2 204.317 2.089 10 0 BEAELP Cc1cccc([C@H]([NH3+])Cc2[nH]cc[nH+]2)c1C ZINC000036946831 179201310 /nfs/dbraw/zinc/20/13/10/179201310.db2.gz RZSVSFYRQCDEIX-GFCCVEGCSA-N 2 2 215.300 2.269 10 0 BEAELP Cc1ccccc1-c1c[nH]c(CCC[NH3+])[nH+]1 ZINC000036874297 179237185 /nfs/dbraw/zinc/23/71/85/179237185.db2.gz IGXQTHIKZCWADM-UHFFFAOYSA-N 2 2 215.300 2.276 10 0 BEAELP Cc1ccccc1CC[N@@H+](C)CC[NH2+]C(C)C ZINC000228266201 179264081 /nfs/dbraw/zinc/26/40/81/179264081.db2.gz QQSIDWDYKDLNFA-UHFFFAOYSA-N 2 2 234.387 2.467 10 0 BEAELP Cc1ccccc1CC[N@H+](C)CC[NH2+]C(C)C ZINC000228266201 179264083 /nfs/dbraw/zinc/26/40/83/179264083.db2.gz QQSIDWDYKDLNFA-UHFFFAOYSA-N 2 2 234.387 2.467 10 0 BEAELP Cc1ccccc1CN(C)c1cc[nH+]c(C[NH3+])c1 ZINC000051397897 179271708 /nfs/dbraw/zinc/27/17/08/179271708.db2.gz AOYKEGYOTUYAGN-UHFFFAOYSA-N 2 2 241.338 2.485 10 0 BEAELP Cc1ccccc1[C@H](C[NH3+])[N@H+]1CCC[C@@H]1C ZINC000037910418 179341746 /nfs/dbraw/zinc/34/17/46/179341746.db2.gz OCBORYJSWFYGAH-JSGCOSHPSA-N 2 2 218.344 2.479 10 0 BEAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+]1CCC[C@@H]1C ZINC000037910418 179341749 /nfs/dbraw/zinc/34/17/49/179341749.db2.gz OCBORYJSWFYGAH-JSGCOSHPSA-N 2 2 218.344 2.479 10 0 BEAELP C[C@@H]1CN(c2[nH+]ccc3ccccc32)CC[C@H]1[NH3+] ZINC000251753427 362906206 /nfs/dbraw/zinc/90/62/06/362906206.db2.gz LKWJWZVEVOQPMU-BXUZGUMPSA-N 2 2 241.338 2.408 10 0 BEAELP c1ccc(C[NH2+][C@@H]2C3CC[NH+](CC3)C23CC3)cc1 ZINC000616579424 349161520 /nfs/dbraw/zinc/16/15/20/349161520.db2.gz SVNMJOFEBUPVMQ-OAHLLOKOSA-N 2 2 242.366 2.403 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000133059329 191036160 /nfs/dbraw/zinc/03/61/60/191036160.db2.gz NBODHLMVSXIHSO-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000133059329 191036162 /nfs/dbraw/zinc/03/61/62/191036162.db2.gz NBODHLMVSXIHSO-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304513966 350161013 /nfs/dbraw/zinc/16/10/13/350161013.db2.gz DRCGNHXMUPJQKP-FQUUOJAGSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304513966 350161016 /nfs/dbraw/zinc/16/10/16/350161016.db2.gz DRCGNHXMUPJQKP-FQUUOJAGSA-N 2 2 222.376 2.249 10 0 BEAELP CSCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000133698913 191041940 /nfs/dbraw/zinc/04/19/40/191041940.db2.gz JTQNTIWBTCRLFO-RYUDHWBXSA-N 2 2 242.432 2.344 10 0 BEAELP CSCCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000133698913 191041942 /nfs/dbraw/zinc/04/19/42/191041942.db2.gz JTQNTIWBTCRLFO-RYUDHWBXSA-N 2 2 242.432 2.344 10 0 BEAELP CSCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000133699102 191042038 /nfs/dbraw/zinc/04/20/38/191042038.db2.gz JTQNTIWBTCRLFO-VXGBXAGGSA-N 2 2 242.432 2.344 10 0 BEAELP CSCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000133699102 191042039 /nfs/dbraw/zinc/04/20/39/191042039.db2.gz JTQNTIWBTCRLFO-VXGBXAGGSA-N 2 2 242.432 2.344 10 0 BEAELP Cc1[nH+]cccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250896927 180225973 /nfs/dbraw/zinc/22/59/73/180225973.db2.gz WWMSYRVMYFQVHR-OLZOCXBDSA-N 2 2 231.343 2.429 10 0 BEAELP Cc1[nH+]cccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250896927 180225978 /nfs/dbraw/zinc/22/59/78/180225978.db2.gz WWMSYRVMYFQVHR-OLZOCXBDSA-N 2 2 231.343 2.429 10 0 BEAELP Cc1[nH+]cn(-c2ccc(F)cc2C[NH3+])c1C ZINC000051927443 180286174 /nfs/dbraw/zinc/28/61/74/180286174.db2.gz ICTIWXMWVNQRFU-UHFFFAOYSA-N 2 2 219.263 2.087 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccc2ccncc2c1 ZINC000616608361 350804345 /nfs/dbraw/zinc/80/43/45/350804345.db2.gz RDMOYYRAFBWPNI-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccc2ccncc2c1 ZINC000616608361 350804349 /nfs/dbraw/zinc/80/43/49/350804349.db2.gz RDMOYYRAFBWPNI-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP CC(C)[NH+]1CCC(c2cccc(N)[nH+]2)CC1 ZINC000616619009 350925878 /nfs/dbraw/zinc/92/58/78/350925878.db2.gz DMEUABNQZZDLPW-UHFFFAOYSA-N 2 2 219.332 2.252 10 0 BEAELP CC[N@H+](Cc1ccccc1)[C@@H](C)C[NH2+]C ZINC000052443695 351001538 /nfs/dbraw/zinc/00/15/38/351001538.db2.gz LDTFNYNPBSVZGH-LBPRGKRZSA-N 2 2 206.333 2.116 10 0 BEAELP CC[N@@H+](Cc1ccccc1)[C@@H](C)C[NH2+]C ZINC000052443695 351001540 /nfs/dbraw/zinc/00/15/40/351001540.db2.gz LDTFNYNPBSVZGH-LBPRGKRZSA-N 2 2 206.333 2.116 10 0 BEAELP COc1ccc([C@@H]([NH3+])[C@H](C)n2cc[nH+]c2)cc1 ZINC000023069217 188283314 /nfs/dbraw/zinc/28/33/14/188283314.db2.gz MNSMZEBWLTZVCR-GWCFXTLKSA-N 2 2 231.299 2.153 10 0 BEAELP CC(C)Cc1[nH]c2cc(C[NH3+])ccc2[nH+]1 ZINC000071508670 188287510 /nfs/dbraw/zinc/28/75/10/188287510.db2.gz OZESHACOEVSXNT-UHFFFAOYSA-N 2 2 203.289 2.220 10 0 BEAELP COc1cccc([C@@H]([NH3+])C[N@@H+]2CCC[C@@H]2C)c1 ZINC000037910624 188289226 /nfs/dbraw/zinc/28/92/26/188289226.db2.gz IUWUZSKOPVUUPX-FZMZJTMJSA-N 2 2 234.343 2.179 10 0 BEAELP COc1cccc([C@@H]([NH3+])C[N@H+]2CCC[C@@H]2C)c1 ZINC000037910624 188289227 /nfs/dbraw/zinc/28/92/27/188289227.db2.gz IUWUZSKOPVUUPX-FZMZJTMJSA-N 2 2 234.343 2.179 10 0 BEAELP CC1(C)C[N@H+](CCC[NH2+]C2CCCC2)CCO1 ZINC000053499244 188300795 /nfs/dbraw/zinc/30/07/95/188300795.db2.gz GXGLTMBLGDGSOL-UHFFFAOYSA-N 2 2 240.391 2.020 10 0 BEAELP CC1(C)C[N@@H+](CCC[NH2+]C2CCCC2)CCO1 ZINC000053499244 188300796 /nfs/dbraw/zinc/30/07/96/188300796.db2.gz GXGLTMBLGDGSOL-UHFFFAOYSA-N 2 2 240.391 2.020 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]Cc1cc[nH]c1 ZINC000080773793 188312341 /nfs/dbraw/zinc/31/23/41/188312341.db2.gz OCXAQLFXWBIDJZ-CYBMUJFWSA-N 2 2 223.364 2.081 10 0 BEAELP CC[N@H+](C)CC[NH2+][C@H](C)CCC(C)C ZINC000053378996 188340975 /nfs/dbraw/zinc/34/09/75/188340975.db2.gz VUOAPWQEPCUFQL-GFCCVEGCSA-N 2 2 200.370 2.352 10 0 BEAELP CC[N@@H+](C)CC[NH2+][C@H](C)CCC(C)C ZINC000053378996 188340977 /nfs/dbraw/zinc/34/09/77/188340977.db2.gz VUOAPWQEPCUFQL-GFCCVEGCSA-N 2 2 200.370 2.352 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020073491 188351996 /nfs/dbraw/zinc/35/19/96/188351996.db2.gz PFEXFQONOYGOKR-JHJVBQTASA-N 2 2 212.381 2.338 10 0 BEAELP [NH2+]=C(c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000062993978 181206710 /nfs/dbraw/zinc/20/67/10/181206710.db2.gz JUXDMCWHPKSKBJ-UHFFFAOYSA-N 2 2 243.354 2.040 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000389180667 355763413 /nfs/dbraw/zinc/76/34/13/355763413.db2.gz QHVWLFVHRUBEMP-CHWSQXEVSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000389180667 355763415 /nfs/dbraw/zinc/76/34/15/355763415.db2.gz QHVWLFVHRUBEMP-CHWSQXEVSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2OC)C1 ZINC000389249837 355936063 /nfs/dbraw/zinc/93/60/63/355936063.db2.gz MNYVBRAUUMCRBL-AWEZNQCLSA-N 2 2 248.370 2.187 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2OC)C1 ZINC000389249837 355936070 /nfs/dbraw/zinc/93/60/70/355936070.db2.gz MNYVBRAUUMCRBL-AWEZNQCLSA-N 2 2 248.370 2.187 10 0 BEAELP C[C@H]1CCCC[N@@H+]1CC12CCC(CC1)[NH2+]2 ZINC000675055959 538476932 /nfs/dbraw/zinc/47/69/32/538476932.db2.gz FKMLVQCNBOLLCQ-HIFPTAJRSA-N 2 2 208.349 2.145 10 0 BEAELP C[C@H]1CCCC[N@H+]1CC12CCC(CC1)[NH2+]2 ZINC000675055959 538476934 /nfs/dbraw/zinc/47/69/34/538476934.db2.gz FKMLVQCNBOLLCQ-HIFPTAJRSA-N 2 2 208.349 2.145 10 0 BEAELP CC(C)C(=O)CCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000675075455 538509113 /nfs/dbraw/zinc/50/91/13/538509113.db2.gz PLONYMCOCLEOCN-UHFFFAOYSA-N 2 2 240.391 2.018 10 0 BEAELP CC(C)C(=O)CCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000675075455 538509116 /nfs/dbraw/zinc/50/91/16/538509116.db2.gz PLONYMCOCLEOCN-UHFFFAOYSA-N 2 2 240.391 2.018 10 0 BEAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1cc(F)cc(F)c1 ZINC000257586726 538737549 /nfs/dbraw/zinc/73/75/49/538737549.db2.gz PDEPJIGNWGLTQI-NEPJUHHUSA-N 2 2 226.270 2.059 10 0 BEAELP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1cc(F)cc(F)c1 ZINC000257586726 538737557 /nfs/dbraw/zinc/73/75/57/538737557.db2.gz PDEPJIGNWGLTQI-NEPJUHHUSA-N 2 2 226.270 2.059 10 0 BEAELP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(F)c(F)c1 ZINC000257585628 538737716 /nfs/dbraw/zinc/73/77/16/538737716.db2.gz KDJJDGQYCDVRRQ-CABZTGNLSA-N 2 2 226.270 2.059 10 0 BEAELP C[N@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(F)c(F)c1 ZINC000257585628 538737719 /nfs/dbraw/zinc/73/77/19/538737719.db2.gz KDJJDGQYCDVRRQ-CABZTGNLSA-N 2 2 226.270 2.059 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000389572806 356993720 /nfs/dbraw/zinc/99/37/20/356993720.db2.gz WPEMYAXMFBCYQC-CPCZMJQVSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000389572806 356993723 /nfs/dbraw/zinc/99/37/23/356993723.db2.gz WPEMYAXMFBCYQC-CPCZMJQVSA-N 2 2 210.365 2.105 10 0 BEAELP C(=C\c1ccccc1)\C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000204386905 538823228 /nfs/dbraw/zinc/82/32/28/538823228.db2.gz LGWAFBWTSXBLIZ-DAXSKMNVSA-N 2 2 242.366 2.480 10 0 BEAELP C(=C\c1ccccc1)\C[N@H+]1CC[NH+]2CCC1CC2 ZINC000204386905 538823237 /nfs/dbraw/zinc/82/32/37/538823237.db2.gz LGWAFBWTSXBLIZ-DAXSKMNVSA-N 2 2 242.366 2.480 10 0 BEAELP CCC1(C)CC[NH+]([C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC000685948674 538891205 /nfs/dbraw/zinc/89/12/05/538891205.db2.gz SVDTUHWELQOJEN-NEPJUHHUSA-N 2 2 228.355 2.199 10 0 BEAELP CC(C)[NH2+]CC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000193496845 357928723 /nfs/dbraw/zinc/92/87/23/357928723.db2.gz NTVNBSFZCZJXBL-OCCSQVGLSA-N 2 2 248.370 2.139 10 0 BEAELP c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]23)cc1 ZINC000224145166 358609918 /nfs/dbraw/zinc/60/99/18/358609918.db2.gz SCTRVPQBVADAOD-KGLIPLIRSA-N 2 2 216.328 2.013 10 0 BEAELP c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000224145166 358609920 /nfs/dbraw/zinc/60/99/20/358609920.db2.gz SCTRVPQBVADAOD-KGLIPLIRSA-N 2 2 216.328 2.013 10 0 BEAELP CC(C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000053655475 358837519 /nfs/dbraw/zinc/83/75/19/358837519.db2.gz RYSCLERCUYSEES-OAHLLOKOSA-N 2 2 247.386 2.292 10 0 BEAELP CC(C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000053655475 358837522 /nfs/dbraw/zinc/83/75/22/358837522.db2.gz RYSCLERCUYSEES-OAHLLOKOSA-N 2 2 247.386 2.292 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccc(O)c1 ZINC000396637440 358942591 /nfs/dbraw/zinc/94/25/91/358942591.db2.gz AKIAJWFKZSFLDV-MISXGVKJSA-N 2 2 234.343 2.183 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1csc(C)c1 ZINC000306221334 359346695 /nfs/dbraw/zinc/34/66/95/359346695.db2.gz JKFHHVGGLYFXIV-MNOVXSKESA-N 2 2 210.346 2.151 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1csc(C)c1 ZINC000306221334 359346699 /nfs/dbraw/zinc/34/66/99/359346699.db2.gz JKFHHVGGLYFXIV-MNOVXSKESA-N 2 2 210.346 2.151 10 0 BEAELP CC[C@H]([NH2+][C@@H]1C[N@H+](CC)C[C@H]1C)C1CC1 ZINC000309171496 491145806 /nfs/dbraw/zinc/14/58/06/491145806.db2.gz LKUKINDZXYCEHO-KGYLQXTDSA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C)C1CC1 ZINC000309171496 491145807 /nfs/dbraw/zinc/14/58/07/491145807.db2.gz LKUKINDZXYCEHO-KGYLQXTDSA-N 2 2 210.365 2.105 10 0 BEAELP [NH3+][C@H]1CCCCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000630550500 364244255 /nfs/dbraw/zinc/24/42/55/364244255.db2.gz ROVZVPPGNVOLOE-NSHDSACASA-N 2 2 244.342 2.271 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000576173408 365510452 /nfs/dbraw/zinc/51/04/52/365510452.db2.gz OXLMXPRGCMSYKV-VXGBXAGGSA-N 2 2 208.349 2.003 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000576173408 365510457 /nfs/dbraw/zinc/51/04/57/365510457.db2.gz OXLMXPRGCMSYKV-VXGBXAGGSA-N 2 2 208.349 2.003 10 0 BEAELP C[C@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040672430 373588995 /nfs/dbraw/zinc/58/89/95/373588995.db2.gz LJBDHYKBJVSYSZ-HIFRSBDPSA-N 2 2 232.371 2.474 10 0 BEAELP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040672430 373589004 /nfs/dbraw/zinc/58/90/04/373589004.db2.gz LJBDHYKBJVSYSZ-HIFRSBDPSA-N 2 2 232.371 2.474 10 0 BEAELP C[N@@H+]1CCCC[C@@H]([NH3+])[C@@H]1c1cccs1 ZINC000069799143 373807285 /nfs/dbraw/zinc/80/72/85/373807285.db2.gz BGMKFAOTMVIHHI-MWLCHTKSSA-N 2 2 210.346 2.232 10 0 BEAELP C[N@H+]1CCCC[C@@H]([NH3+])[C@@H]1c1cccs1 ZINC000069799143 373807290 /nfs/dbraw/zinc/80/72/90/373807290.db2.gz BGMKFAOTMVIHHI-MWLCHTKSSA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2)C1 ZINC000306333729 170037804 /nfs/dbraw/zinc/03/78/04/170037804.db2.gz DWPFYBUIICESKD-GXTWGEPZSA-N 2 2 218.344 2.116 10 0 BEAELP CCC[N@H+](C)[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043026294 169085714 /nfs/dbraw/zinc/08/57/14/169085714.db2.gz XGDWLSOZCWLURB-BXUZGUMPSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[N@@H+](C)[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043026294 169085715 /nfs/dbraw/zinc/08/57/15/169085715.db2.gz XGDWLSOZCWLURB-BXUZGUMPSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccccn1 ZINC000019279626 169151250 /nfs/dbraw/zinc/15/12/50/169151250.db2.gz BJHHMOPZESIFOB-ZDUSSCGKSA-N 2 2 221.348 2.203 10 0 BEAELP CCC[NH+](CCC)C[C@H]([NH3+])[C@@H](C)CC ZINC000020072234 169148526 /nfs/dbraw/zinc/14/85/26/169148526.db2.gz YJLWEGPFWMDFOF-RYUDHWBXSA-N 2 2 200.370 2.482 10 0 BEAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccco1 ZINC000019795929 169152936 /nfs/dbraw/zinc/15/29/36/169152936.db2.gz GXWBYYWMBFLSPJ-LLVKDONJSA-N 2 2 210.321 2.401 10 0 BEAELP CCC[N@H+](CC[NH3+])Cc1cccc(C)c1 ZINC000032011643 169158029 /nfs/dbraw/zinc/15/80/29/169158029.db2.gz HYGWCLLVIITASQ-UHFFFAOYSA-N 2 2 206.333 2.166 10 0 BEAELP CCC[N@@H+](CC[NH3+])Cc1cccc(C)c1 ZINC000032011643 169158032 /nfs/dbraw/zinc/15/80/32/169158032.db2.gz HYGWCLLVIITASQ-UHFFFAOYSA-N 2 2 206.333 2.166 10 0 BEAELP CCC[N@H+]([C@@H](C)c1ccccn1)[C@H]1CC[NH2+]C1 ZINC000071314727 169181684 /nfs/dbraw/zinc/18/16/84/169181684.db2.gz MOUBBMFSUXVUEH-STQMWFEESA-N 2 2 233.359 2.217 10 0 BEAELP CCC[N@@H+]([C@@H](C)c1ccccn1)[C@H]1CC[NH2+]C1 ZINC000071314727 169181685 /nfs/dbraw/zinc/18/16/85/169181685.db2.gz MOUBBMFSUXVUEH-STQMWFEESA-N 2 2 233.359 2.217 10 0 BEAELP c1cn(-c2ccccc2)c(C2CC[NH2+]CC2)[nH+]1 ZINC000082510521 183386579 /nfs/dbraw/zinc/38/65/79/183386579.db2.gz FVMFRJZICRNMHD-UHFFFAOYSA-N 2 2 227.311 2.339 10 0 BEAELP c1ccc(CCC[NH2+][C@H]2C[NH+]3CCC2CC3)cc1 ZINC000020070760 183391264 /nfs/dbraw/zinc/39/12/64/183391264.db2.gz UTLQCJOYJRSCRZ-INIZCTEOSA-N 2 2 244.382 2.303 10 0 BEAELP c1ccc(CCC[NH2+][C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000020070757 183391890 /nfs/dbraw/zinc/39/18/90/183391890.db2.gz UTLQCJOYJRSCRZ-MRXNPFEDSA-N 2 2 244.382 2.303 10 0 BEAELP c1ccc(CC[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000041259889 183393365 /nfs/dbraw/zinc/39/33/65/183393365.db2.gz JNRAIMPTLRLERW-UHFFFAOYSA-N 2 2 232.371 2.305 10 0 BEAELP CCC[NH2+][C@H]1CC[N@H+](Cc2ccncc2)C[C@@H]1C ZINC000049712470 169291645 /nfs/dbraw/zinc/29/16/45/169291645.db2.gz BUKSUORUEUPMFK-ZFWWWQNUSA-N 2 2 247.386 2.292 10 0 BEAELP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccncc2)C[C@@H]1C ZINC000049712470 169291647 /nfs/dbraw/zinc/29/16/47/169291647.db2.gz BUKSUORUEUPMFK-ZFWWWQNUSA-N 2 2 247.386 2.292 10 0 BEAELP CCCOc1ccc([C@H](C)[N@H+](C)CC[NH3+])cc1 ZINC000054416969 169321941 /nfs/dbraw/zinc/32/19/41/169321941.db2.gz FAFQDJRGUBRLNS-LBPRGKRZSA-N 2 2 236.359 2.427 10 0 BEAELP CCCOc1ccc([C@H](C)[N@@H+](C)CC[NH3+])cc1 ZINC000054416969 169321943 /nfs/dbraw/zinc/32/19/43/169321943.db2.gz FAFQDJRGUBRLNS-LBPRGKRZSA-N 2 2 236.359 2.427 10 0 BEAELP C[NH2+][C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000050269833 383990876 /nfs/dbraw/zinc/99/08/76/383990876.db2.gz WVELHJDCINDLNR-SECBINFHSA-N 2 2 219.115 2.213 10 0 BEAELP c1ccc(C[NH2+]CC[NH2+]C2CCCC2)cc1 ZINC000040409859 384150717 /nfs/dbraw/zinc/15/07/17/384150717.db2.gz DZJZRMMXZVEZSK-UHFFFAOYSA-N 2 2 218.344 2.308 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH3+])c1ccco1 ZINC000095068308 384329233 /nfs/dbraw/zinc/32/92/33/384329233.db2.gz JCBLCHTZHBNZCG-GARJFASQSA-N 2 2 208.305 2.200 10 0 BEAELP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1[NH3+])c1ccccn1 ZINC000095068317 384329965 /nfs/dbraw/zinc/32/99/65/384329965.db2.gz JCWKVGUESLPLOG-NTZNESFSSA-N 2 2 219.332 2.002 10 0 BEAELP CCC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000020091980 384573583 /nfs/dbraw/zinc/57/35/83/384573583.db2.gz VLHUPRHZIXLLKF-QWHCGFSZSA-N 2 2 212.381 2.497 10 0 BEAELP CCC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000020091980 384573593 /nfs/dbraw/zinc/57/35/93/384573593.db2.gz VLHUPRHZIXLLKF-QWHCGFSZSA-N 2 2 212.381 2.497 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1cccc(-c2ccccc2)c1 ZINC000044468876 384735284 /nfs/dbraw/zinc/73/52/84/384735284.db2.gz RGWXDRWEMCMNMG-AWEZNQCLSA-N 2 2 212.296 2.312 10 0 BEAELP Fc1cccc(Cl)c1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398343775 385197726 /nfs/dbraw/zinc/19/77/26/385197726.db2.gz FMOULMDLLOIMON-VIFPVBQESA-N 2 2 242.725 2.178 10 0 BEAELP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cncs1 ZINC000131886098 385368224 /nfs/dbraw/zinc/36/82/24/385368224.db2.gz XXNIXNSTBGBIQC-JTQLQIEISA-N 2 2 241.404 2.382 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000336697949 385755812 /nfs/dbraw/zinc/75/58/12/385755812.db2.gz JAPFNEWCROJBST-MCIONIFRSA-N 2 2 242.407 2.120 10 0 BEAELP CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C(C)(C)C ZINC000336654228 385721923 /nfs/dbraw/zinc/72/19/23/385721923.db2.gz MRPRYQLQMMHVRG-GHMZBOCLSA-N 2 2 200.370 2.351 10 0 BEAELP CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)(C)C ZINC000336654238 385722356 /nfs/dbraw/zinc/72/23/56/385722356.db2.gz MRPRYQLQMMHVRG-QWRGUYRKSA-N 2 2 200.370 2.351 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000189523943 386023388 /nfs/dbraw/zinc/02/33/88/386023388.db2.gz UABDKYXSMBTDOV-HSBZDZAISA-N 2 2 240.391 2.016 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000189523943 386023394 /nfs/dbraw/zinc/02/33/94/386023394.db2.gz UABDKYXSMBTDOV-HSBZDZAISA-N 2 2 240.391 2.016 10 0 BEAELP CCSCC[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000336756664 386571285 /nfs/dbraw/zinc/57/12/85/386571285.db2.gz IXOCXUCJYCPOMP-NEPJUHHUSA-N 2 2 230.421 2.058 10 0 BEAELP CCSCC[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000336756664 386571291 /nfs/dbraw/zinc/57/12/91/386571291.db2.gz IXOCXUCJYCPOMP-NEPJUHHUSA-N 2 2 230.421 2.058 10 0 BEAELP CCSCC[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000336756665 386571607 /nfs/dbraw/zinc/57/16/07/386571607.db2.gz IXOCXUCJYCPOMP-NWDGAFQWSA-N 2 2 230.421 2.058 10 0 BEAELP CCSCC[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000336756665 386571613 /nfs/dbraw/zinc/57/16/13/386571613.db2.gz IXOCXUCJYCPOMP-NWDGAFQWSA-N 2 2 230.421 2.058 10 0 BEAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000396589034 386777456 /nfs/dbraw/zinc/77/74/56/386777456.db2.gz SLMLYLKXUWLUMH-SCRDCRAPSA-N 2 2 218.344 2.478 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000396563876 386777506 /nfs/dbraw/zinc/77/75/06/386777506.db2.gz UXXRFYITSGSQMQ-GLQYFDAESA-N 2 2 230.355 2.404 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000396563878 386779403 /nfs/dbraw/zinc/77/94/03/386779403.db2.gz UXXRFYITSGSQMQ-NILFDRSVSA-N 2 2 230.355 2.404 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)[C@@H]1C[C@@H]1C ZINC000321952366 387007227 /nfs/dbraw/zinc/00/72/27/387007227.db2.gz XAFPEPKUHQIUCW-LOWDOPEQSA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)[C@@H]1C[C@@H]1C ZINC000321952366 387007231 /nfs/dbraw/zinc/00/72/31/387007231.db2.gz XAFPEPKUHQIUCW-LOWDOPEQSA-N 2 2 210.365 2.105 10 0 BEAELP C[C@H]([NH3+])CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486235 387062726 /nfs/dbraw/zinc/06/27/26/387062726.db2.gz VJEGWZYTIJICFD-ZETCQYMHSA-N 2 2 233.237 2.250 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000418090399 387097826 /nfs/dbraw/zinc/09/78/26/387097826.db2.gz CMXJJBNMCSWNCR-HRCADAONSA-N 2 2 244.382 2.474 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000418090399 387097828 /nfs/dbraw/zinc/09/78/28/387097828.db2.gz CMXJJBNMCSWNCR-HRCADAONSA-N 2 2 244.382 2.474 10 0 BEAELP C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000252116840 387219956 /nfs/dbraw/zinc/21/99/56/387219956.db2.gz KHTYPFSDARRSGL-VNQPRFMTSA-N 2 2 244.382 2.301 10 0 BEAELP C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000252116840 387219961 /nfs/dbraw/zinc/21/99/61/387219961.db2.gz KHTYPFSDARRSGL-VNQPRFMTSA-N 2 2 244.382 2.301 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1cccc(Oc2ccccc2)c1 ZINC000035677106 387438056 /nfs/dbraw/zinc/43/80/56/387438056.db2.gz GHBHZJDTNBYFHH-CQSZACIVSA-N 2 2 228.295 2.437 10 0 BEAELP CC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1nccs1 ZINC000400698000 387512003 /nfs/dbraw/zinc/51/20/03/387512003.db2.gz JNOGJQOYNDEYKS-VWYCJHECSA-N 2 2 239.388 2.182 10 0 BEAELP CC[C@H](C)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000245593817 387963112 /nfs/dbraw/zinc/96/31/12/387963112.db2.gz BEYVFLZKNSLJGV-STQMWFEESA-N 2 2 221.348 2.394 10 0 BEAELP CC[C@H](C)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000245593817 387963114 /nfs/dbraw/zinc/96/31/14/387963114.db2.gz BEYVFLZKNSLJGV-STQMWFEESA-N 2 2 221.348 2.394 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000233484021 388347640 /nfs/dbraw/zinc/34/76/40/388347640.db2.gz WTFSSGLHUNOCBB-MOKVOYLWSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000233484021 388347643 /nfs/dbraw/zinc/34/76/43/388347643.db2.gz WTFSSGLHUNOCBB-MOKVOYLWSA-N 2 2 224.392 2.495 10 0 BEAELP C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000393852982 388444147 /nfs/dbraw/zinc/44/41/47/388444147.db2.gz OICIYLBQWSZNIZ-GARJFASQSA-N 2 2 228.405 2.001 10 0 BEAELP C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000042944583 388446641 /nfs/dbraw/zinc/44/66/41/388446641.db2.gz QTPXZKPCJBDDKS-LDYMZIIASA-N 2 2 212.724 2.290 10 0 BEAELP CCCc1[nH+]c2ccccc2n1C[C@H](C)[NH3+] ZINC000166337335 388425323 /nfs/dbraw/zinc/42/53/23/388425323.db2.gz IIPNAHGVGIQLES-JTQLQIEISA-N 2 2 217.316 2.336 10 0 BEAELP CC[C@H](C)C[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245546899 388588775 /nfs/dbraw/zinc/58/87/75/388588775.db2.gz WUNMHMOMIAGRBW-XQQFMLRXSA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H](C)C[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245546899 388588778 /nfs/dbraw/zinc/58/87/78/388588778.db2.gz WUNMHMOMIAGRBW-XQQFMLRXSA-N 2 2 212.381 2.351 10 0 BEAELP C[N@H+](Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC000054134903 388593386 /nfs/dbraw/zinc/59/33/86/388593386.db2.gz XOYMABRSPJRUTH-CQSZACIVSA-N 2 2 218.344 2.261 10 0 BEAELP C[N@@H+](Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC000054134903 388593389 /nfs/dbraw/zinc/59/33/89/388593389.db2.gz XOYMABRSPJRUTH-CQSZACIVSA-N 2 2 218.344 2.261 10 0 BEAELP CCC1CCN(c2cc[nH+]c(C[NH3+])c2)CC1 ZINC000051398146 132360493 /nfs/dbraw/zinc/36/04/93/132360493.db2.gz XASVZHXOCZELQJ-UHFFFAOYSA-N 2 2 219.332 2.167 10 0 BEAELP C[C@H]1C[NH2+]C(C)(C)CN1c1ccc([NH+](C)C)cc1 ZINC000058449486 132368156 /nfs/dbraw/zinc/36/81/56/132368156.db2.gz PXPSSDUWGDAPLP-LBPRGKRZSA-N 2 2 247.386 2.329 10 0 BEAELP Cc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)c[nH+]1 ZINC000083360268 132422464 /nfs/dbraw/zinc/42/24/64/132422464.db2.gz OWOBAGITCZHKMZ-JSGCOSHPSA-N 2 2 233.359 2.213 10 0 BEAELP CCn1cc[nH+]c1CSCC[NH+](CC)CC ZINC000174025034 134280376 /nfs/dbraw/zinc/28/03/76/134280376.db2.gz MFAMUCGRJZPNRM-UHFFFAOYSA-N 2 2 241.404 2.478 10 0 BEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C1CCC1 ZINC000179583376 134322165 /nfs/dbraw/zinc/32/21/65/134322165.db2.gz FXNXOJMQGIXXLD-ZDUSSCGKSA-N 2 2 219.332 2.208 10 0 BEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C1CCC1 ZINC000179583376 134322166 /nfs/dbraw/zinc/32/21/66/134322166.db2.gz FXNXOJMQGIXXLD-ZDUSSCGKSA-N 2 2 219.332 2.208 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000250189472 135050647 /nfs/dbraw/zinc/05/06/47/135050647.db2.gz ADNFHRWJRVBGCC-FRRDWIJNSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000250189472 135050648 /nfs/dbraw/zinc/05/06/48/135050648.db2.gz ADNFHRWJRVBGCC-FRRDWIJNSA-N 2 2 210.365 2.249 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000251371851 135071818 /nfs/dbraw/zinc/07/18/18/135071818.db2.gz GDEYBYFOSMAWJU-MJBXVCDLSA-N 2 2 240.391 2.003 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000251371851 135071819 /nfs/dbraw/zinc/07/18/19/135071819.db2.gz GDEYBYFOSMAWJU-MJBXVCDLSA-N 2 2 240.391 2.003 10 0 BEAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C)C1CC1 ZINC000252729279 135103615 /nfs/dbraw/zinc/10/36/15/135103615.db2.gz FZSCZHWAJIUTMJ-KWCYVHTRSA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C)C1CC1 ZINC000252729279 135103617 /nfs/dbraw/zinc/10/36/17/135103617.db2.gz FZSCZHWAJIUTMJ-KWCYVHTRSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000309330722 167029600 /nfs/dbraw/zinc/02/96/00/167029600.db2.gz HSQMEUJGSITHIQ-FRRDWIJNSA-N 2 2 242.432 2.058 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000309330722 167029607 /nfs/dbraw/zinc/02/96/07/167029607.db2.gz HSQMEUJGSITHIQ-FRRDWIJNSA-N 2 2 242.432 2.058 10 0 BEAELP CCc1ccc(C[NH2+]C[C@H](C)[NH2+]C)s1 ZINC000225381115 487564357 /nfs/dbraw/zinc/56/43/57/487564357.db2.gz ONDUZIWDVXMWII-VIFPVBQESA-N 2 2 212.362 2.008 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000393240983 487568819 /nfs/dbraw/zinc/56/88/19/487568819.db2.gz OBAIIYRRAPUHOF-NEPJUHHUSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000393240983 487568828 /nfs/dbraw/zinc/56/88/28/487568828.db2.gz OBAIIYRRAPUHOF-NEPJUHHUSA-N 2 2 212.381 2.352 10 0 BEAELP C[C@H]([NH2+]CC[NH3+])c1ccc(Cl)c(F)c1 ZINC000215021499 409634964 /nfs/dbraw/zinc/63/49/64/409634964.db2.gz WWFMWHHSBYXIAZ-ZETCQYMHSA-N 2 2 216.687 2.088 10 0 BEAELP CC(C)Oc1ccc([C@@H]([NH3+])Cn2cc[nH+]c2)cc1 ZINC000023068021 167298964 /nfs/dbraw/zinc/29/89/64/167298964.db2.gz LMOZWKJGTUMZMA-AWEZNQCLSA-N 2 2 245.326 2.370 10 0 BEAELP C[C@H]1C[N@H+](Cc2ccnc3ccccc23)C[C@H]1[NH3+] ZINC000300081506 411080670 /nfs/dbraw/zinc/08/06/70/411080670.db2.gz BJVHNMQVPDOMAZ-SMDDNHRTSA-N 2 2 241.338 2.014 10 0 BEAELP C[C@H]1C[N@@H+](Cc2ccnc3ccccc23)C[C@H]1[NH3+] ZINC000300081506 411080676 /nfs/dbraw/zinc/08/06/76/411080676.db2.gz BJVHNMQVPDOMAZ-SMDDNHRTSA-N 2 2 241.338 2.014 10 0 BEAELP CC(C)c1csc2c[nH+]c(CC[NH3+])n21 ZINC000071478898 167652657 /nfs/dbraw/zinc/65/26/57/167652657.db2.gz OVGGTPHONNMWHX-UHFFFAOYSA-N 2 2 209.318 2.020 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655697494 411244465 /nfs/dbraw/zinc/24/44/65/411244465.db2.gz QONBMRGSBWAEKO-AVGNSLFASA-N 2 2 242.432 2.344 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655697494 411244469 /nfs/dbraw/zinc/24/44/69/411244469.db2.gz QONBMRGSBWAEKO-AVGNSLFASA-N 2 2 242.432 2.344 10 0 BEAELP C[C@@H]1CC[N@@H+](C2(C[NH3+])CCC(C)CC2)C1 ZINC000040717203 168153275 /nfs/dbraw/zinc/15/32/75/168153275.db2.gz RSCQZUHETVAWTC-OTTFEQOBSA-N 2 2 210.365 2.236 10 0 BEAELP C[C@@H]1CC[N@H+](C2(C[NH3+])CCC(C)CC2)C1 ZINC000040717203 168153276 /nfs/dbraw/zinc/15/32/76/168153276.db2.gz RSCQZUHETVAWTC-OTTFEQOBSA-N 2 2 210.365 2.236 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)C2)C1 ZINC000336895515 170020258 /nfs/dbraw/zinc/02/02/58/170020258.db2.gz MZAGRJRUZNNMFA-MJBXVCDLSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)C2)C1 ZINC000336895515 170020259 /nfs/dbraw/zinc/02/02/59/170020259.db2.gz MZAGRJRUZNNMFA-MJBXVCDLSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000334578966 170022430 /nfs/dbraw/zinc/02/24/30/170022430.db2.gz MZSZOWFDNNGMKS-DZGCQCFKSA-N 2 2 248.345 2.497 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000334578966 170022432 /nfs/dbraw/zinc/02/24/32/170022432.db2.gz MZSZOWFDNNGMKS-DZGCQCFKSA-N 2 2 248.345 2.497 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000328339210 170022701 /nfs/dbraw/zinc/02/27/01/170022701.db2.gz KIAZMQWXSLBHQD-JQWIXIFHSA-N 2 2 224.373 2.493 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000328339210 170022702 /nfs/dbraw/zinc/02/27/02/170022702.db2.gz KIAZMQWXSLBHQD-JQWIXIFHSA-N 2 2 224.373 2.493 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000309897293 170029516 /nfs/dbraw/zinc/02/95/16/170029516.db2.gz GIYHLHVRSARQJU-OCCSQVGLSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000309897293 170029518 /nfs/dbraw/zinc/02/95/18/170029518.db2.gz GIYHLHVRSARQJU-OCCSQVGLSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccs2)C1 ZINC000336753923 170030598 /nfs/dbraw/zinc/03/05/98/170030598.db2.gz HCUNMUGDDUWZOL-PWSUYJOCSA-N 2 2 224.373 2.178 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccs2)C1 ZINC000336753923 170030600 /nfs/dbraw/zinc/03/06/00/170030600.db2.gz HCUNMUGDDUWZOL-PWSUYJOCSA-N 2 2 224.373 2.178 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(C)CCCC2)C1 ZINC000336779496 170036875 /nfs/dbraw/zinc/03/68/75/170036875.db2.gz OMEJVAWPHZYCAS-QWHCGFSZSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(C)CCCC2)C1 ZINC000336779496 170036876 /nfs/dbraw/zinc/03/68/76/170036876.db2.gz OMEJVAWPHZYCAS-QWHCGFSZSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@H]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000336778426 170037367 /nfs/dbraw/zinc/03/73/67/170037367.db2.gz LIMOKJHHXAGNLE-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000336778426 170037369 /nfs/dbraw/zinc/03/73/69/170037369.db2.gz LIMOKJHHXAGNLE-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCC2(C)C)[C@@H](C)C1 ZINC000309907559 170037637 /nfs/dbraw/zinc/03/76/37/170037637.db2.gz KZLCTQWWBXWHDO-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCC2(C)C)[C@@H](C)C1 ZINC000309907559 170037638 /nfs/dbraw/zinc/03/76/38/170037638.db2.gz KZLCTQWWBXWHDO-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2)C1 ZINC000306333729 170037806 /nfs/dbraw/zinc/03/78/06/170037806.db2.gz DWPFYBUIICESKD-GXTWGEPZSA-N 2 2 218.344 2.116 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000336678613 170039269 /nfs/dbraw/zinc/03/92/69/170039269.db2.gz BXJAILTWRAYRNZ-ZOBORPQBSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000336678613 170039271 /nfs/dbraw/zinc/03/92/71/170039271.db2.gz BXJAILTWRAYRNZ-ZOBORPQBSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC000336763985 170039379 /nfs/dbraw/zinc/03/93/79/170039379.db2.gz PMFJRTVGBCFJQA-WUHRBBMRSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC000336763985 170039380 /nfs/dbraw/zinc/03/93/80/170039380.db2.gz PMFJRTVGBCFJQA-WUHRBBMRSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000309066130 170039568 /nfs/dbraw/zinc/03/95/68/170039568.db2.gz ZNKRKHLHGCFOGM-DMDPSCGWSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000309066130 170039570 /nfs/dbraw/zinc/03/95/70/170039570.db2.gz ZNKRKHLHGCFOGM-DMDPSCGWSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000309046083 170040052 /nfs/dbraw/zinc/04/00/52/170040052.db2.gz ORNZPOCMYHDFLA-MROQNXINSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000309046083 170040053 /nfs/dbraw/zinc/04/00/53/170040053.db2.gz ORNZPOCMYHDFLA-MROQNXINSA-N 2 2 210.365 2.105 10 0 BEAELP CC[NH2+]C(C)(C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000061299625 170107643 /nfs/dbraw/zinc/10/76/43/170107643.db2.gz BCBHVKQJXVIWJD-TXEJJXNPSA-N 2 2 212.381 2.352 10 0 BEAELP CC[NH2+]C(C)(C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000061299625 170107644 /nfs/dbraw/zinc/10/76/44/170107644.db2.gz BCBHVKQJXVIWJD-TXEJJXNPSA-N 2 2 212.381 2.352 10 0 BEAELP CC[NH2+]C(C)(C)C[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC000061299967 170107795 /nfs/dbraw/zinc/10/77/95/170107795.db2.gz MEVHRVPSLAHUKW-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[NH2+]C(C)(C)C[N@H+]1CC[C@H](C)C[C@@H]1C ZINC000061299967 170107797 /nfs/dbraw/zinc/10/77/97/170107797.db2.gz MEVHRVPSLAHUKW-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[NH2+]CCc1[nH+]c2cc(OC)ccc2n1CC ZINC000074297982 170118069 /nfs/dbraw/zinc/11/80/69/170118069.db2.gz SBZGCLDTFYKVCZ-UHFFFAOYSA-N 2 2 247.342 2.217 10 0 BEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccccc1OC ZINC000035570357 170146539 /nfs/dbraw/zinc/14/65/39/170146539.db2.gz WRGDXUHRVYHKRF-LBPRGKRZSA-N 2 2 245.326 2.312 10 0 BEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000035570407 170146878 /nfs/dbraw/zinc/14/68/78/170146878.db2.gz GPTIOBLZNBSOOX-LBPRGKRZSA-N 2 2 233.290 2.442 10 0 BEAELP CC[NH2+][C@H](C)C[N@@H+]1CCCc2ccccc2C1 ZINC000062944508 170156748 /nfs/dbraw/zinc/15/67/48/170156748.db2.gz HHDJEMBHZIFHKW-CYBMUJFWSA-N 2 2 232.371 2.433 10 0 BEAELP CC[NH2+][C@H](C)C[N@H+]1CCCc2ccccc2C1 ZINC000062944508 170156749 /nfs/dbraw/zinc/15/67/49/170156749.db2.gz HHDJEMBHZIFHKW-CYBMUJFWSA-N 2 2 232.371 2.433 10 0 BEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccc(C)cc1 ZINC000035570046 170162272 /nfs/dbraw/zinc/16/22/72/170162272.db2.gz RHMKSFCWRYIPAK-CQSZACIVSA-N 2 2 243.354 2.481 10 0 BEAELP CC[NH2+][C@H](C[N@@H+]1CCCO[C@H](C)C1)C(C)(C)C ZINC000061917340 170162479 /nfs/dbraw/zinc/16/24/79/170162479.db2.gz LWDYJXBUBPVVGB-CHWSQXEVSA-N 2 2 242.407 2.121 10 0 BEAELP CC[NH2+][C@H](C[N@H+]1CCCO[C@H](C)C1)C(C)(C)C ZINC000061917340 170162480 /nfs/dbraw/zinc/16/24/80/170162480.db2.gz LWDYJXBUBPVVGB-CHWSQXEVSA-N 2 2 242.407 2.121 10 0 BEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccccc1OC ZINC000035570359 170163270 /nfs/dbraw/zinc/16/32/70/170163270.db2.gz WRGDXUHRVYHKRF-GFCCVEGCSA-N 2 2 245.326 2.312 10 0 BEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1ccccc1C ZINC000035570214 170163316 /nfs/dbraw/zinc/16/33/16/170163316.db2.gz CKIDZVNENBFZIZ-AWEZNQCLSA-N 2 2 243.354 2.481 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C[C@@H]1C ZINC000049712750 170167740 /nfs/dbraw/zinc/16/77/40/170167740.db2.gz HGTUJNGLGSFZLV-IHRRRGAJSA-N 2 2 247.386 2.463 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccn2)C[C@@H]1C ZINC000049712750 170167742 /nfs/dbraw/zinc/16/77/42/170167742.db2.gz HGTUJNGLGSFZLV-IHRRRGAJSA-N 2 2 247.386 2.463 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000048265871 170168315 /nfs/dbraw/zinc/16/83/15/170168315.db2.gz GMAWXFKITHKDKF-AWEZNQCLSA-N 2 2 218.344 2.179 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC000048265871 170168317 /nfs/dbraw/zinc/16/83/17/170168317.db2.gz GMAWXFKITHKDKF-AWEZNQCLSA-N 2 2 218.344 2.179 10 0 BEAELP CC[C@@H]1CC[N@H+](Cc2ccc(C)o2)CC[NH2+]1 ZINC000053041931 171011079 /nfs/dbraw/zinc/01/10/79/171011079.db2.gz JNHKJDNYSLGOMV-GFCCVEGCSA-N 2 2 222.332 2.162 10 0 BEAELP CC[C@@H]1CC[N@@H+](Cc2ccc(C)o2)CC[NH2+]1 ZINC000053041931 171011082 /nfs/dbraw/zinc/01/10/82/171011082.db2.gz JNHKJDNYSLGOMV-GFCCVEGCSA-N 2 2 222.332 2.162 10 0 BEAELP CC[C@@H]1CC[N@H+](CCOC2CCCC2)CC[NH2+]1 ZINC000104436856 171012923 /nfs/dbraw/zinc/01/29/23/171012923.db2.gz WGTDQXYAXVSMPE-CYBMUJFWSA-N 2 2 240.391 2.020 10 0 BEAELP CC[C@@H]1CC[N@@H+](CCOC2CCCC2)CC[NH2+]1 ZINC000104436856 171012926 /nfs/dbraw/zinc/01/29/26/171012926.db2.gz WGTDQXYAXVSMPE-CYBMUJFWSA-N 2 2 240.391 2.020 10 0 BEAELP CC[C@@H]1CCN(c2ccc([NH+](C)C)cc2)CC[NH2+]1 ZINC000049662066 171014021 /nfs/dbraw/zinc/01/40/21/171014021.db2.gz FHWBVMNWXSSSSP-CYBMUJFWSA-N 2 2 247.386 2.331 10 0 BEAELP CC[C@@H]1C[N@@H+]([C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000036769362 171093942 /nfs/dbraw/zinc/09/39/42/171093942.db2.gz LQUWADOYYBEDGU-KGLIPLIRSA-N 2 2 240.391 2.005 10 0 BEAELP CC[C@@H]1C[N@H+]([C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000036769362 171093944 /nfs/dbraw/zinc/09/39/44/171093944.db2.gz LQUWADOYYBEDGU-KGLIPLIRSA-N 2 2 240.391 2.005 10 0 BEAELP CC[C@H](C)C[C@](CC)(C[NH3+])[N@@H+]1CCO[C@H](C)C1 ZINC000034689296 171299584 /nfs/dbraw/zinc/29/95/84/171299584.db2.gz LSGKDXYNRSPVHQ-BFHYXJOUSA-N 2 2 242.407 2.251 10 0 BEAELP CC[C@H](C)C[C@](CC)(C[NH3+])[N@H+]1CCO[C@H](C)C1 ZINC000034689296 171299586 /nfs/dbraw/zinc/29/95/86/171299586.db2.gz LSGKDXYNRSPVHQ-BFHYXJOUSA-N 2 2 242.407 2.251 10 0 BEAELP CCc1ccc2[nH]c(CC[NH2+]C3CC3)[nH+]c2c1 ZINC000074326247 171850645 /nfs/dbraw/zinc/85/06/45/171850645.db2.gz OMXOXIXGJLEWBR-UHFFFAOYSA-N 2 2 229.327 2.420 10 0 BEAELP CCc1[nH+]c2cc(C[NH3+])ccc2n1CC ZINC000062213980 172011110 /nfs/dbraw/zinc/01/11/10/172011110.db2.gz LQPUPWLXDYTHLD-UHFFFAOYSA-N 2 2 203.289 2.077 10 0 BEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC)C1 ZINC000105897401 172029730 /nfs/dbraw/zinc/02/97/30/172029730.db2.gz UFDYFERATYUVDE-LLVKDONJSA-N 2 2 207.321 2.102 10 0 BEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC)C1 ZINC000105897401 172029731 /nfs/dbraw/zinc/02/97/31/172029731.db2.gz UFDYFERATYUVDE-LLVKDONJSA-N 2 2 207.321 2.102 10 0 BEAELP CN(CC[NH2+]C(C)(C)C)c1[nH]c2ccccc2[nH+]1 ZINC000053692226 172744797 /nfs/dbraw/zinc/74/47/97/172744797.db2.gz XAWFMKHSZPJENE-UHFFFAOYSA-N 2 2 246.358 2.387 10 0 BEAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336722948 173035029 /nfs/dbraw/zinc/03/50/29/173035029.db2.gz ALQNFPTUEQUAKQ-YNEHKIRRSA-N 2 2 228.355 2.199 10 0 BEAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336722948 173035030 /nfs/dbraw/zinc/03/50/30/173035030.db2.gz ALQNFPTUEQUAKQ-YNEHKIRRSA-N 2 2 228.355 2.199 10 0 BEAELP C[NH2+]C(C)(C)C[N@@H+]1CCc2ccccc2C1 ZINC000061319482 173319093 /nfs/dbraw/zinc/31/90/93/173319093.db2.gz OTAIDUPLCFZRGJ-UHFFFAOYSA-N 2 2 218.344 2.043 10 0 BEAELP C[NH2+]C(C)(C)C[N@H+]1CCc2ccccc2C1 ZINC000061319482 173319094 /nfs/dbraw/zinc/31/90/94/173319094.db2.gz OTAIDUPLCFZRGJ-UHFFFAOYSA-N 2 2 218.344 2.043 10 0 BEAELP C[NH2+]C1(c2nccs2)CC[NH+](C(C)C)CC1 ZINC000041060327 173321923 /nfs/dbraw/zinc/32/19/23/173321923.db2.gz FVHKYPVSWOSFME-UHFFFAOYSA-N 2 2 239.388 2.062 10 0 BEAELP C[NH2+]C1CC[NH+]([C@H](C)c2ccco2)CC1 ZINC000035739392 173324014 /nfs/dbraw/zinc/32/40/14/173324014.db2.gz WDLKBNSWKLZEQG-SNVBAGLBSA-N 2 2 208.305 2.024 10 0 BEAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000042407731 173367135 /nfs/dbraw/zinc/36/71/35/173367135.db2.gz UYPYICQNEQUJBX-NSHDSACASA-N 2 2 224.373 2.322 10 0 BEAELP C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1cccs1 ZINC000042407731 173367136 /nfs/dbraw/zinc/36/71/36/173367136.db2.gz UYPYICQNEQUJBX-NSHDSACASA-N 2 2 224.373 2.322 10 0 BEAELP C[NH2+]C[C@H](C(C)C)[NH+]1CCC(C)(C)CC1 ZINC000061823304 173373028 /nfs/dbraw/zinc/37/30/28/173373028.db2.gz TWGCGUZVOHZIME-GFCCVEGCSA-N 2 2 212.381 2.352 10 0 BEAELP COCC[N@H+]([C@H](c1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000042902219 174284474 /nfs/dbraw/zinc/28/44/74/174284474.db2.gz BSEQKBFUDFFABR-DOMZBBRYSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@@H+]([C@H](c1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000042902219 174284475 /nfs/dbraw/zinc/28/44/75/174284475.db2.gz BSEQKBFUDFFABR-DOMZBBRYSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@H+]([C@@H](C[NH2+]C(C)C)C(C)C)C1CC1 ZINC000052542337 174285398 /nfs/dbraw/zinc/28/53/98/174285398.db2.gz WDSXQZRYCUAXEO-AWEZNQCLSA-N 2 2 242.407 2.120 10 0 BEAELP COCC[N@@H+]([C@@H](C[NH2+]C(C)C)C(C)C)C1CC1 ZINC000052542337 174285400 /nfs/dbraw/zinc/28/54/00/174285400.db2.gz WDSXQZRYCUAXEO-AWEZNQCLSA-N 2 2 242.407 2.120 10 0 BEAELP COCC[C@@H](C)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188652 174377899 /nfs/dbraw/zinc/37/78/99/174377899.db2.gz HQSYHJYEDRFUMH-HZSPNIEDSA-N 2 2 240.391 2.018 10 0 BEAELP COCC[C@@H](C)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188652 174377901 /nfs/dbraw/zinc/37/79/01/174377901.db2.gz HQSYHJYEDRFUMH-HZSPNIEDSA-N 2 2 240.391 2.018 10 0 BEAELP COc1ccc(C)cc1[C@@H](C[NH3+])[N@H+](C)CC1CC1 ZINC000077424048 175080540 /nfs/dbraw/zinc/08/05/40/175080540.db2.gz AZCMZPQPPANWAA-CQSZACIVSA-N 2 2 248.370 2.345 10 0 BEAELP COc1ccc(C)cc1[C@@H](C[NH3+])[N@@H+](C)CC1CC1 ZINC000077424048 175080542 /nfs/dbraw/zinc/08/05/42/175080542.db2.gz AZCMZPQPPANWAA-CQSZACIVSA-N 2 2 248.370 2.345 10 0 BEAELP COc1ccc([NH2+]CC[C@H](C)C[NH3+])cc1 ZINC000049814311 175150516 /nfs/dbraw/zinc/15/05/16/175150516.db2.gz AIIJHRYWXOKICH-JTQLQIEISA-N 2 2 208.305 2.092 10 0 BEAELP COc1ccc([NH2+]C[C@H](C)CC[NH3+])cc1 ZINC000049814318 175152038 /nfs/dbraw/zinc/15/20/38/175152038.db2.gz SYDHYBVHCGZAQA-SNVBAGLBSA-N 2 2 208.305 2.092 10 0 BEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C(C)C)cc1F ZINC000077386335 175178614 /nfs/dbraw/zinc/17/86/14/175178614.db2.gz LRFKJBRKPXUTKM-GFCCVEGCSA-N 2 2 240.322 2.174 10 0 BEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C(C)C)cc1F ZINC000077386335 175178616 /nfs/dbraw/zinc/17/86/16/175178616.db2.gz LRFKJBRKPXUTKM-GFCCVEGCSA-N 2 2 240.322 2.174 10 0 BEAELP COc1ccc([C@@H]([C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000042960003 175181629 /nfs/dbraw/zinc/18/16/29/175181629.db2.gz QSBOOVHAANSDJY-SMDDNHRTSA-N 2 2 234.343 2.179 10 0 BEAELP COc1ccc2cc([C@H](C[NH3+])[NH+](C)C)ccc2c1 ZINC000019255873 175224650 /nfs/dbraw/zinc/22/46/50/175224650.db2.gz LXOUQZLCFHTHHK-HNNXBMFYSA-N 2 2 244.338 2.410 10 0 BEAELP COc1cccc([C@H](C)[N@@H+]2CCC[NH2+]CC2)c1 ZINC000022100336 175292635 /nfs/dbraw/zinc/29/26/35/175292635.db2.gz AEIWTZOUUDSJGJ-LBPRGKRZSA-N 2 2 234.343 2.052 10 0 BEAELP COc1cccc([C@H](C)[N@H+]2CCC[NH2+]CC2)c1 ZINC000022100336 175292636 /nfs/dbraw/zinc/29/26/36/175292636.db2.gz AEIWTZOUUDSJGJ-LBPRGKRZSA-N 2 2 234.343 2.052 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)C[C@H]1C[C@H]1C ZINC000111765790 175353036 /nfs/dbraw/zinc/35/30/36/175353036.db2.gz LMCYWDHXBDCWLA-BZPMIXESSA-N 2 2 248.370 2.283 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)C[C@H]1C[C@H]1C ZINC000111765790 175353037 /nfs/dbraw/zinc/35/30/37/175353037.db2.gz LMCYWDHXBDCWLA-BZPMIXESSA-N 2 2 248.370 2.283 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)CC1CC1 ZINC000020225781 175353250 /nfs/dbraw/zinc/35/32/50/175353250.db2.gz MYJYRISYEWYOTQ-ZDUSSCGKSA-N 2 2 234.343 2.037 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)CC1CC1 ZINC000020225781 175353251 /nfs/dbraw/zinc/35/32/51/175353251.db2.gz MYJYRISYEWYOTQ-ZDUSSCGKSA-N 2 2 234.343 2.037 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)CC(C)C ZINC000020225779 175353291 /nfs/dbraw/zinc/35/32/91/175353291.db2.gz VLNQZHKYQWABKS-ZDUSSCGKSA-N 2 2 236.359 2.283 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)CC(C)C ZINC000020225779 175353293 /nfs/dbraw/zinc/35/32/93/175353293.db2.gz VLNQZHKYQWABKS-ZDUSSCGKSA-N 2 2 236.359 2.283 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)[C@H](C)C1CC1 ZINC000036783336 175353472 /nfs/dbraw/zinc/35/34/72/175353472.db2.gz RJGFVKPZARZQMG-RISCZKNCSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)[C@H](C)C1CC1 ZINC000036783336 175353475 /nfs/dbraw/zinc/35/34/75/175353475.db2.gz RJGFVKPZARZQMG-RISCZKNCSA-N 2 2 248.370 2.425 10 0 BEAELP C[C@@H](c1ccc(N)cc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC000042288412 176015002 /nfs/dbraw/zinc/01/50/02/176015002.db2.gz YHVADVXWNVVMHP-LBPRGKRZSA-N 2 2 247.386 2.356 10 0 BEAELP C[C@@H](c1ccc(N)cc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000042288412 176015004 /nfs/dbraw/zinc/01/50/04/176015004.db2.gz YHVADVXWNVVMHP-LBPRGKRZSA-N 2 2 247.386 2.356 10 0 BEAELP C[C@@H](c1cccnc1)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601999 176030479 /nfs/dbraw/zinc/03/04/79/176030479.db2.gz GWGPXBLIJNURQP-PRTUASRFSA-N 2 2 245.370 2.487 10 0 BEAELP C[C@@H](c1cccnc1)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601999 176030481 /nfs/dbraw/zinc/03/04/81/176030481.db2.gz GWGPXBLIJNURQP-PRTUASRFSA-N 2 2 245.370 2.487 10 0 BEAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccccc1 ZINC000037910327 176109810 /nfs/dbraw/zinc/10/98/10/176109810.db2.gz KTGLRXNWBQJSFU-YPMHNXCESA-N 2 2 204.317 2.171 10 0 BEAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccccc1 ZINC000037910327 176109813 /nfs/dbraw/zinc/10/98/13/176109813.db2.gz KTGLRXNWBQJSFU-YPMHNXCESA-N 2 2 204.317 2.171 10 0 BEAELP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH+]3CCC2CC3)C1 ZINC000019946240 176145398 /nfs/dbraw/zinc/14/53/98/176145398.db2.gz QKXDVYJIQBTSKB-KWCYVHTRSA-N 2 2 222.376 2.249 10 0 BEAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2ccccn2)C1 ZINC000036777280 176151618 /nfs/dbraw/zinc/15/16/18/176151618.db2.gz DGHICEPDLNFVCI-HIFRSBDPSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2ccccn2)C1 ZINC000036777280 176151619 /nfs/dbraw/zinc/15/16/19/176151619.db2.gz DGHICEPDLNFVCI-HIFRSBDPSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2cccnc2)C1 ZINC000036771019 176151730 /nfs/dbraw/zinc/15/17/30/176151730.db2.gz HLWLDTCGRVYMLR-HIFRSBDPSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2cccnc2)C1 ZINC000036771019 176151732 /nfs/dbraw/zinc/15/17/32/176151732.db2.gz HLWLDTCGRVYMLR-HIFRSBDPSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)CC[NH2+]1 ZINC000049661668 176173241 /nfs/dbraw/zinc/17/32/41/176173241.db2.gz QRXGDAOZZCOWMD-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)CC[NH2+]1 ZINC000049661668 176173243 /nfs/dbraw/zinc/17/32/43/176173243.db2.gz QRXGDAOZZCOWMD-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000235331219 176173590 /nfs/dbraw/zinc/17/35/90/176173590.db2.gz GWTNWVVODVGPJG-BXUZGUMPSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000235331219 176173593 /nfs/dbraw/zinc/17/35/93/176173593.db2.gz GWTNWVVODVGPJG-BXUZGUMPSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@@H]1C[NH2+]CC[N@@H+](C2CCCCCC2)C1 ZINC000049661872 176325114 /nfs/dbraw/zinc/32/51/14/176325114.db2.gz CGPDYGZXPLLVNW-GFCCVEGCSA-N 2 2 210.365 2.251 10 0 BEAELP C[C@@H]1C[NH2+]CC[N@H+](C2CCCCCC2)C1 ZINC000049661872 176325116 /nfs/dbraw/zinc/32/51/16/176325116.db2.gz CGPDYGZXPLLVNW-GFCCVEGCSA-N 2 2 210.365 2.251 10 0 BEAELP C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(C[NH3+])n2)C1 ZINC000052420735 176362132 /nfs/dbraw/zinc/36/21/32/176362132.db2.gz CJMICXHDRQAMEA-NXEZZACHSA-N 2 2 239.388 2.080 10 0 BEAELP C[C@H]1CC[N@H+](Cc2ccc(F)cc2)CC[NH2+]1 ZINC000049661671 177164032 /nfs/dbraw/zinc/16/40/32/177164032.db2.gz QRXGDAOZZCOWMD-NSHDSACASA-N 2 2 222.307 2.010 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)CC[NH2+]1 ZINC000049661671 177164033 /nfs/dbraw/zinc/16/40/33/177164033.db2.gz QRXGDAOZZCOWMD-NSHDSACASA-N 2 2 222.307 2.010 10 0 BEAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccsc2)C1 ZINC000042278870 177169806 /nfs/dbraw/zinc/16/98/06/177169806.db2.gz DLEBKCRWGSRUFA-ONGXEEELSA-N 2 2 210.346 2.090 10 0 BEAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2ccsc2)C1 ZINC000042278870 177169807 /nfs/dbraw/zinc/16/98/07/177169807.db2.gz DLEBKCRWGSRUFA-ONGXEEELSA-N 2 2 210.346 2.090 10 0 BEAELP C[C@H]1C[N@H+](Cc2ccccc2F)CCC[NH2+]1 ZINC000062611090 177266671 /nfs/dbraw/zinc/26/66/71/177266671.db2.gz IROVDISDGCWKKU-NSHDSACASA-N 2 2 222.307 2.010 10 0 BEAELP C[C@H]1C[N@@H+](Cc2ccccc2F)CCC[NH2+]1 ZINC000062611090 177266672 /nfs/dbraw/zinc/26/66/72/177266672.db2.gz IROVDISDGCWKKU-NSHDSACASA-N 2 2 222.307 2.010 10 0 BEAELP C[C@H]1COCC[N@@H+]1C1(C[NH3+])CCCCCCC1 ZINC000035774940 177290493 /nfs/dbraw/zinc/29/04/93/177290493.db2.gz WBYAJKNKJKPFCE-ZDUSSCGKSA-N 2 2 240.391 2.149 10 0 BEAELP C[C@H]1COCC[N@H+]1C1(C[NH3+])CCCCCCC1 ZINC000035774940 177290495 /nfs/dbraw/zinc/29/04/95/177290495.db2.gz WBYAJKNKJKPFCE-ZDUSSCGKSA-N 2 2 240.391 2.149 10 0 BEAELP C[C@H]1C[C@H](C)C[NH+]([C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000019390128 177358632 /nfs/dbraw/zinc/35/86/32/177358632.db2.gz XBCBFSSRCVGIEN-ZDEQEGDKSA-N 2 2 210.365 2.234 10 0 BEAELP COc1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000058012252 487648567 /nfs/dbraw/zinc/64/85/67/487648567.db2.gz BGKIZORCACFHIB-LBPRGKRZSA-N 2 2 246.354 2.010 10 0 BEAELP COc1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000058012252 487648568 /nfs/dbraw/zinc/64/85/68/487648568.db2.gz BGKIZORCACFHIB-LBPRGKRZSA-N 2 2 246.354 2.010 10 0 BEAELP CC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CC[C@H]1[NH3+] ZINC000251527972 487766274 /nfs/dbraw/zinc/76/62/74/487766274.db2.gz AFWNZTDBFYHYPX-GHMZBOCLSA-N 2 2 244.342 2.127 10 0 BEAELP CC1CCC(C[NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000397797520 323096666 /nfs/dbraw/zinc/09/66/66/323096666.db2.gz UNRHTACDQUECHQ-UHFFFAOYSA-N 2 2 224.392 2.497 10 0 BEAELP CCCc1[nH+]c2ccccc2n1C[C@@H](C)[NH3+] ZINC000166337459 326432467 /nfs/dbraw/zinc/43/24/67/326432467.db2.gz IIPNAHGVGIQLES-SNVBAGLBSA-N 2 2 217.316 2.336 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)[C@@H](C)C1 ZINC000382103927 487531737 /nfs/dbraw/zinc/53/17/37/487531737.db2.gz CIMUTOWEXFOKDX-HPCHECBXSA-N 2 2 222.376 2.105 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)[C@@H](C)C1 ZINC000382103927 487531743 /nfs/dbraw/zinc/53/17/43/487531743.db2.gz CIMUTOWEXFOKDX-HPCHECBXSA-N 2 2 222.376 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382103940 487531815 /nfs/dbraw/zinc/53/18/15/487531815.db2.gz CIMUTOWEXFOKDX-PDWCTOEPSA-N 2 2 222.376 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382103940 487531822 /nfs/dbraw/zinc/53/18/22/487531822.db2.gz CIMUTOWEXFOKDX-PDWCTOEPSA-N 2 2 222.376 2.105 10 0 BEAELP CCC[C@H](C)C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000309090155 491144529 /nfs/dbraw/zinc/14/45/29/491144529.db2.gz BWDRROSVBZHVQW-AVGNSLFASA-N 2 2 212.381 2.352 10 0 BEAELP CCC[C@H](C)C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309090155 491144530 /nfs/dbraw/zinc/14/45/30/491144530.db2.gz BWDRROSVBZHVQW-AVGNSLFASA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1C[C@H](Nc2cccc(C)[nH+]2)[C@@H](C)C1 ZINC000309412597 491148846 /nfs/dbraw/zinc/14/88/46/491148846.db2.gz CATWNURORWCIFD-JQWIXIFHSA-N 2 2 219.332 2.142 10 0 BEAELP CC[N@@H+]1C[C@H](Nc2cccc(C)[nH+]2)[C@@H](C)C1 ZINC000309412597 491148847 /nfs/dbraw/zinc/14/88/47/491148847.db2.gz CATWNURORWCIFD-JQWIXIFHSA-N 2 2 219.332 2.142 10 0 BEAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000251863870 535942606 /nfs/dbraw/zinc/94/26/06/535942606.db2.gz OUHDEXDCASUPAF-AVGNSLFASA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000251863870 535942610 /nfs/dbraw/zinc/94/26/10/535942610.db2.gz OUHDEXDCASUPAF-AVGNSLFASA-N 2 2 212.381 2.495 10 0 BEAELP C(C[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1)C1CC1 ZINC000757134179 582510427 /nfs/dbraw/zinc/51/04/27/582510427.db2.gz WRCWNRDJFGFOEQ-OAHLLOKOSA-N 2 2 234.387 2.347 10 0 BEAELP C(C[N@H+]1CCC[C@]12C[NH+]1CCC2CC1)C1CC1 ZINC000757134179 582510429 /nfs/dbraw/zinc/51/04/29/582510429.db2.gz WRCWNRDJFGFOEQ-OAHLLOKOSA-N 2 2 234.387 2.347 10 0 BEAELP CC(=O)c1cccc([C@@H]2CC[C@H]([NH3+])[C@@H](C)[NH2+]2)c1 ZINC000757218556 582562811 /nfs/dbraw/zinc/56/28/11/582562811.db2.gz WFASCCHLKQNSFA-IIMNLJJBSA-N 2 2 232.327 2.030 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@H]1[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000396624448 583086928 /nfs/dbraw/zinc/08/69/28/583086928.db2.gz DJUHUNRCNKYWRJ-NWDGAFQWSA-N 2 2 240.391 2.016 10 0 BEAELP C[C@H]1[NH2+]CCC[C@@H]1[NH+]1CCC(C)(C)CC1 ZINC000396731718 583089310 /nfs/dbraw/zinc/08/93/10/583089310.db2.gz YYKXVXKYSOGLMP-NEPJUHHUSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757212971 586439334 /nfs/dbraw/zinc/43/93/34/586439334.db2.gz KPHPZTYJGWHIOV-GAJTVXKRSA-N 2 2 229.327 2.308 10 0 BEAELP CC(=O)c1cccc([C@@H]2[NH2+][C@H](C)CC[C@@H]2[NH3+])c1 ZINC000757212298 586439475 /nfs/dbraw/zinc/43/94/75/586439475.db2.gz HXFJYGIDPXQBIF-IIMNLJJBSA-N 2 2 232.327 2.030 10 0 BEAELP CC[N@H+](CCC[NH3+])c1ccc(C)cc1C ZINC000020239400 590090408 /nfs/dbraw/zinc/09/04/08/590090408.db2.gz WWKCSMMCECLINW-UHFFFAOYSA-N 2 2 206.333 2.479 10 0 BEAELP CC[N@@H+](CCC[NH3+])c1ccc(C)cc1C ZINC000020239400 590090409 /nfs/dbraw/zinc/09/04/09/590090409.db2.gz WWKCSMMCECLINW-UHFFFAOYSA-N 2 2 206.333 2.479 10 0 BEAELP CC[C@@H](C[NH2+][C@@H]1CCCSC1)[NH+]1CCCC1 ZINC000128242639 590949985 /nfs/dbraw/zinc/94/99/85/590949985.db2.gz ZWAAHAQILSCEIP-OLZOCXBDSA-N 2 2 242.432 2.346 10 0 BEAELP CCSCC[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000128928647 591187963 /nfs/dbraw/zinc/18/79/63/591187963.db2.gz DYUWNYLYVNEAAC-GFCCVEGCSA-N 2 2 230.421 2.204 10 0 BEAELP C[C@H](C[NH2+]CCc1ccccc1)[N@H+](C)C1CC1 ZINC000221112181 592397951 /nfs/dbraw/zinc/39/79/51/592397951.db2.gz PQXOIJULORHCMB-CYBMUJFWSA-N 2 2 232.371 2.301 10 0 BEAELP C[C@H](C[NH2+]CCc1ccccc1)[N@@H+](C)C1CC1 ZINC000221112181 592397954 /nfs/dbraw/zinc/39/79/54/592397954.db2.gz PQXOIJULORHCMB-CYBMUJFWSA-N 2 2 232.371 2.301 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H]2C(C)C)C1 ZINC000309903114 633920430 /nfs/dbraw/zinc/92/04/30/633920430.db2.gz ITQGUYMAASVVEV-IGQOVBAYSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H]2C(C)C)C1 ZINC000309903114 633920432 /nfs/dbraw/zinc/92/04/32/633920432.db2.gz ITQGUYMAASVVEV-IGQOVBAYSA-N 2 2 224.392 2.351 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCCSC1 ZINC000061588150 641184077 /nfs/dbraw/zinc/18/40/77/641184077.db2.gz MJZAIMVKMCPHAS-QWHCGFSZSA-N 2 2 244.448 2.448 10 0 BEAELP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCSC(F)(F)F ZINC000123633402 641873462 /nfs/dbraw/zinc/87/34/62/641873462.db2.gz MLPGKLJNJYQEJN-JGVFFNPUSA-N 2 2 242.310 2.051 10 0 BEAELP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCSC(F)(F)F ZINC000123633402 641873465 /nfs/dbraw/zinc/87/34/65/641873465.db2.gz MLPGKLJNJYQEJN-JGVFFNPUSA-N 2 2 242.310 2.051 10 0 BEAELP CC(C)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717155508 712638093 /nfs/dbraw/zinc/63/80/93/712638093.db2.gz OJZWZKNUIRENTM-AEJSXWLSSA-N 2 2 238.297 2.242 10 0 BEAELP CC(C)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717155508 712638095 /nfs/dbraw/zinc/63/80/95/712638095.db2.gz OJZWZKNUIRENTM-AEJSXWLSSA-N 2 2 238.297 2.242 10 0 BEAELP [NH3+][C@H]1C[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000715095008 712508393 /nfs/dbraw/zinc/50/83/93/712508393.db2.gz APDBJBQKNCIWGL-XWEPSHTISA-N 2 2 245.248 2.250 10 0 BEAELP FCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000134860542 1167714002 /nfs/dbraw/zinc/71/40/02/1167714002.db2.gz KDRRHLAOULIZKT-UHFFFAOYSA-N 2 2 239.319 2.383 10 0 BEAELP Cc1noc(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746586 398168681 /nfs/dbraw/zinc/16/86/81/398168681.db2.gz DOVUALPJEFLLEF-FUNVUKJBSA-N 2 2 249.358 2.006 10 0 BEAELP Cc1noc(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746586 398168683 /nfs/dbraw/zinc/16/86/83/398168683.db2.gz DOVUALPJEFLLEF-FUNVUKJBSA-N 2 2 249.358 2.006 10 0 BEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)C1CC1 ZINC000050578404 178091951 /nfs/dbraw/zinc/09/19/51/178091951.db2.gz ULCMZRXQXPPMAX-ZDUSSCGKSA-N 2 2 222.307 2.228 10 0 BEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)C1CC1 ZINC000050578404 178091954 /nfs/dbraw/zinc/09/19/54/178091954.db2.gz ULCMZRXQXPPMAX-ZDUSSCGKSA-N 2 2 222.307 2.228 10 0 BEAELP Cc1cc(NC(=O)c2ccc(C[NH3+])cc2)cc[nH+]1 ZINC000082698009 178149710 /nfs/dbraw/zinc/14/97/10/178149710.db2.gz GHUPISDJCKSZBL-UHFFFAOYSA-N 2 2 241.294 2.101 10 0 BEAELP Cc1cc(NC2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000035663817 178155163 /nfs/dbraw/zinc/15/51/63/178155163.db2.gz UIJUNEATMZEJFT-UHFFFAOYSA-N 2 2 234.347 2.072 10 0 BEAELP Cc1cc(NCc2ccc3c(c2)C[NH2+]C3)nc[nH+]1 ZINC000097829689 178173811 /nfs/dbraw/zinc/17/38/11/178173811.db2.gz PNFQOKQBBAIPBV-UHFFFAOYSA-N 2 2 240.310 2.000 10 0 BEAELP Cc1cc2[nH]c(C[C@H](C)[NH3+])[nH+]c2cc1C ZINC000051847962 178301409 /nfs/dbraw/zinc/30/14/09/178301409.db2.gz PWUNFSKTLWUTGA-VIFPVBQESA-N 2 2 203.289 2.069 10 0 BEAELP CCC(CC)[N@H+](CCOC)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042616016 168375189 /nfs/dbraw/zinc/37/51/89/168375189.db2.gz WPGVJAISNFLIGV-UONOGXRCSA-N 2 2 242.407 2.393 10 0 BEAELP CCC(CC)[N@@H+](CCOC)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042616016 168375191 /nfs/dbraw/zinc/37/51/91/168375191.db2.gz WPGVJAISNFLIGV-UONOGXRCSA-N 2 2 242.407 2.393 10 0 BEAELP C[C@]1(c2c[nH+]cn2Cc2ccccc2)CC[NH2+]C1 ZINC000097007762 344003891 /nfs/dbraw/zinc/00/38/91/344003891.db2.gz GYOOFSWQFAEGDY-HNNXBMFYSA-N 2 2 241.338 2.182 10 0 BEAELP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672722 538972845 /nfs/dbraw/zinc/97/28/45/538972845.db2.gz FJTHYLCPZMNSTN-CHWSQXEVSA-N 2 2 236.359 2.285 10 0 BEAELP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672722 538972846 /nfs/dbraw/zinc/97/28/46/538972846.db2.gz FJTHYLCPZMNSTN-CHWSQXEVSA-N 2 2 236.359 2.285 10 0 BEAELP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1cc(F)ccc1F ZINC000211640926 539026237 /nfs/dbraw/zinc/02/62/37/539026237.db2.gz DECBJGFGSJTVLI-JOYOIKCWSA-N 2 2 226.270 2.059 10 0 BEAELP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1cc(F)ccc1F ZINC000211640926 539026238 /nfs/dbraw/zinc/02/62/38/539026238.db2.gz DECBJGFGSJTVLI-JOYOIKCWSA-N 2 2 226.270 2.059 10 0 BEAELP CC(C)C[NH2+]Cc1nc(C[NH+]2CCC2)cs1 ZINC000390605701 539026520 /nfs/dbraw/zinc/02/65/20/539026520.db2.gz XOLYQZGOFWEGJZ-UHFFFAOYSA-N 2 2 239.388 2.094 10 0 BEAELP CC[N@H+](CC(C)C)C[C@@H]([NH3+])CC(C)C ZINC000037111780 342920833 /nfs/dbraw/zinc/92/08/33/342920833.db2.gz ICPRVSIBQFRFDV-LBPRGKRZSA-N 2 2 200.370 2.338 10 0 BEAELP CC[N@@H+](CC(C)C)C[C@@H]([NH3+])CC(C)C ZINC000037111780 342920834 /nfs/dbraw/zinc/92/08/34/342920834.db2.gz ICPRVSIBQFRFDV-LBPRGKRZSA-N 2 2 200.370 2.338 10 0 BEAELP CC[N@H+](CC(C)C)C[C@H]([NH3+])CC(C)C ZINC000037111779 342920882 /nfs/dbraw/zinc/92/08/82/342920882.db2.gz ICPRVSIBQFRFDV-GFCCVEGCSA-N 2 2 200.370 2.338 10 0 BEAELP CC[N@@H+](CC(C)C)C[C@H]([NH3+])CC(C)C ZINC000037111779 342920883 /nfs/dbraw/zinc/92/08/83/342920883.db2.gz ICPRVSIBQFRFDV-GFCCVEGCSA-N 2 2 200.370 2.338 10 0 BEAELP C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000042975098 398331541 /nfs/dbraw/zinc/33/15/41/398331541.db2.gz UXYJAUSHLNYSMD-LDYMZIIASA-N 2 2 212.724 2.290 10 0 BEAELP Clc1cccc(C[NH2+]CCc2c[nH]c[nH+]2)c1 ZINC000045946319 343013105 /nfs/dbraw/zinc/01/31/05/343013105.db2.gz GEOOJYJTMIQBQG-UHFFFAOYSA-N 2 2 235.718 2.395 10 0 BEAELP Clc1cccc(C[NH2+]CCc2c[nH+]c[nH]2)c1 ZINC000045946319 343013106 /nfs/dbraw/zinc/01/31/06/343013106.db2.gz GEOOJYJTMIQBQG-UHFFFAOYSA-N 2 2 235.718 2.395 10 0 BEAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000092348389 343147842 /nfs/dbraw/zinc/14/78/42/343147842.db2.gz CGDKQAZMCLKHLE-ZDUSSCGKSA-N 2 2 241.338 2.158 10 0 BEAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccnc2ccccc12 ZINC000092348389 343147844 /nfs/dbraw/zinc/14/78/44/343147844.db2.gz CGDKQAZMCLKHLE-ZDUSSCGKSA-N 2 2 241.338 2.158 10 0 BEAELP C[N@H+](CC1CC1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000037925467 187253852 /nfs/dbraw/zinc/25/38/52/187253852.db2.gz BLBRCVVIXPNEMW-STQMWFEESA-N 2 2 210.365 2.378 10 0 BEAELP C[N@@H+](CC1CC1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000037925467 187253854 /nfs/dbraw/zinc/25/38/54/187253854.db2.gz BLBRCVVIXPNEMW-STQMWFEESA-N 2 2 210.365 2.378 10 0 BEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000036783318 187259399 /nfs/dbraw/zinc/25/93/99/187259399.db2.gz IFASYWPCLWQGMT-ABAIWWIYSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)[C@H](C)C2CC2)cc1 ZINC000036783318 187259400 /nfs/dbraw/zinc/25/94/00/187259400.db2.gz IFASYWPCLWQGMT-ABAIWWIYSA-N 2 2 248.370 2.425 10 0 BEAELP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000377995830 136333333 /nfs/dbraw/zinc/33/33/33/136333333.db2.gz HDQIZQROLAKRCV-PWSUYJOCSA-N 2 2 219.332 2.149 10 0 BEAELP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000377995799 136333794 /nfs/dbraw/zinc/33/37/94/136333794.db2.gz HDQIZQROLAKRCV-CMPLNLGQSA-N 2 2 219.332 2.149 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000309486827 343603887 /nfs/dbraw/zinc/60/38/87/343603887.db2.gz VRERNZUKHKXKNA-QWHCGFSZSA-N 2 2 222.376 2.393 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000309486827 343603890 /nfs/dbraw/zinc/60/38/90/343603890.db2.gz VRERNZUKHKXKNA-QWHCGFSZSA-N 2 2 222.376 2.393 10 0 BEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]Cc1ccc(O)cc1 ZINC000049195015 187270497 /nfs/dbraw/zinc/27/04/97/187270497.db2.gz RXNAYXBRIUWINP-AWEZNQCLSA-N 2 2 236.359 2.068 10 0 BEAELP C[C@@H]1C[NH2+]C[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000401832734 343735316 /nfs/dbraw/zinc/73/53/16/343735316.db2.gz JLZZTIWHHRYUPG-GXTWGEPZSA-N 2 2 218.344 2.116 10 0 BEAELP C[C@@H]1C[NH2+]C[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000401832734 343735317 /nfs/dbraw/zinc/73/53/17/343735317.db2.gz JLZZTIWHHRYUPG-GXTWGEPZSA-N 2 2 218.344 2.116 10 0 BEAELP Cc1ccsc1[C@H](C[NH3+])[NH+]1CCCC1 ZINC000022170200 343916440 /nfs/dbraw/zinc/91/64/40/343916440.db2.gz UKNRTWWCIVPZRC-JTQLQIEISA-N 2 2 210.346 2.152 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CC2)C1 ZINC000228276187 259375633 /nfs/dbraw/zinc/37/56/33/259375633.db2.gz RQEQCOPNQBMYLJ-NTZNESFSSA-N 2 2 210.365 2.103 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CC2)C1 ZINC000228276187 259375635 /nfs/dbraw/zinc/37/56/35/259375635.db2.gz RQEQCOPNQBMYLJ-NTZNESFSSA-N 2 2 210.365 2.103 10 0 BEAELP [NH3+][C@@H](CC=Cc1ccccc1)Cc1c[nH+]c[nH]1 ZINC000029401863 344595893 /nfs/dbraw/zinc/59/58/93/344595893.db2.gz JQCKGYNRROHKNT-LVDDQXARSA-N 2 2 227.311 2.383 10 0 BEAELP [NH3+][C@@H](CC=Cc1ccccc1)Cc1c[nH]c[nH+]1 ZINC000029401863 344595897 /nfs/dbraw/zinc/59/58/97/344595897.db2.gz JQCKGYNRROHKNT-LVDDQXARSA-N 2 2 227.311 2.383 10 0 BEAELP C[C@H]([NH2+][C@H]1CCCC[C@H]1[NH3+])c1ccco1 ZINC000248021940 345015383 /nfs/dbraw/zinc/01/53/83/345015383.db2.gz JCBLCHTZHBNZCG-AXFHLTTASA-N 2 2 208.305 2.200 10 0 BEAELP C([C@H]1CCC2(CCCC2)C[NH2+]1)[NH+]1CCC1 ZINC000667594193 537884085 /nfs/dbraw/zinc/88/40/85/537884085.db2.gz CYEIKTSMAJLLKD-GFCCVEGCSA-N 2 2 208.349 2.005 10 0 BEAELP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000074010477 537912236 /nfs/dbraw/zinc/91/22/36/537912236.db2.gz YDXVZAXBJZIPGH-NWDGAFQWSA-N 2 2 224.735 2.434 10 0 BEAELP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000074010477 537912243 /nfs/dbraw/zinc/91/22/43/537912243.db2.gz YDXVZAXBJZIPGH-NWDGAFQWSA-N 2 2 224.735 2.434 10 0 BEAELP C[C@H]1CCCc2[nH+]c(C3CC[NH2+]CC3)cn21 ZINC000258447074 345783575 /nfs/dbraw/zinc/78/35/75/345783575.db2.gz PJEUGNBTTVMCCU-JTQLQIEISA-N 2 2 219.332 2.247 10 0 BEAELP Cc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000043501467 179069040 /nfs/dbraw/zinc/06/90/40/179069040.db2.gz SFNCLFRUMTYFFM-CQSZACIVSA-N 2 2 218.344 2.179 10 0 BEAELP Cc1cccc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000043501467 179069041 /nfs/dbraw/zinc/06/90/41/179069041.db2.gz SFNCLFRUMTYFFM-CQSZACIVSA-N 2 2 218.344 2.179 10 0 BEAELP Cc1cccc(OCC[NH2+]CC[NH+]2CCCC2)c1 ZINC000041302272 179167857 /nfs/dbraw/zinc/16/78/57/179167857.db2.gz XRQXRNMVMLEGMX-UHFFFAOYSA-N 2 2 248.370 2.059 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)CC2CC2)c1 ZINC000020225519 179184392 /nfs/dbraw/zinc/18/43/92/179184392.db2.gz VXOPYDHBTBNISH-CQSZACIVSA-N 2 2 218.344 2.337 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000020225519 179184394 /nfs/dbraw/zinc/18/43/94/179184394.db2.gz VXOPYDHBTBNISH-CQSZACIVSA-N 2 2 218.344 2.337 10 0 BEAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])n2cc[nH+]c2)c1 ZINC000042967743 179188049 /nfs/dbraw/zinc/18/80/49/179188049.db2.gz NBIAEIWHRBCQGN-DGCLKSJQSA-N 2 2 215.300 2.128 10 0 BEAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)C2CC2)c1 ZINC000042965921 179188470 /nfs/dbraw/zinc/18/84/70/179188470.db2.gz UUAIIOZRZXDUCU-BXUZGUMPSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)C2CC2)c1 ZINC000042965921 179188473 /nfs/dbraw/zinc/18/84/73/179188473.db2.gz UUAIIOZRZXDUCU-BXUZGUMPSA-N 2 2 218.344 2.478 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH3+])[C@H]1c1ccsc1 ZINC000250329572 362800014 /nfs/dbraw/zinc/80/00/14/362800014.db2.gz OHWMLHVCDQOEQZ-WDEREUQCSA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH3+])[C@H]1c1ccsc1 ZINC000250329572 362800018 /nfs/dbraw/zinc/80/00/18/362800018.db2.gz OHWMLHVCDQOEQZ-WDEREUQCSA-N 2 2 210.346 2.232 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[NH+]2CCCC2)c1C ZINC000043314382 179198453 /nfs/dbraw/zinc/19/84/53/179198453.db2.gz WTEAFYNKRAVLNK-AWEZNQCLSA-N 2 2 218.344 2.399 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@@H+]2CCCOCC2)c1C ZINC000061916511 179199227 /nfs/dbraw/zinc/19/92/27/179199227.db2.gz LMKHIEKTPZNMGQ-HNNXBMFYSA-N 2 2 248.370 2.026 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@H+]2CCCOCC2)c1C ZINC000061916511 179199231 /nfs/dbraw/zinc/19/92/31/179199231.db2.gz LMKHIEKTPZNMGQ-HNNXBMFYSA-N 2 2 248.370 2.026 10 0 BEAELP CCC(C)(C)[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 ZINC000616575773 349094430 /nfs/dbraw/zinc/09/44/30/349094430.db2.gz DJFPMSSUBPPWSU-GFCCVEGCSA-N 2 2 222.376 2.391 10 0 BEAELP Cn1c(C(C)(C)C)[nH+]c2c1[C@H]([NH3+])CCC2 ZINC000725253508 538038083 /nfs/dbraw/zinc/03/80/83/538038083.db2.gz OPKCWYXSBFKLBI-MRVPVSSYSA-N 2 2 207.321 2.054 10 0 BEAELP Cc1nc(NC[C@@H]2CCC[NH2+]C2)cc(C(C)C)[nH+]1 ZINC000045954979 180019294 /nfs/dbraw/zinc/01/92/94/180019294.db2.gz ROGXNYHCQHNZNV-GFCCVEGCSA-N 2 2 248.374 2.320 10 0 BEAELP Cc1[nH+]c2ccccc2n1CCC[NH+](C)C ZINC000040389596 180102764 /nfs/dbraw/zinc/10/27/64/180102764.db2.gz TZSKMPLKJRSIRC-UHFFFAOYSA-N 2 2 217.316 2.296 10 0 BEAELP Cc1[nH+]c2ccccc2n1CC[C@@H](C)[NH3+] ZINC000020429236 180103764 /nfs/dbraw/zinc/10/37/64/180103764.db2.gz SUVMBHNUVOXXFS-SECBINFHSA-N 2 2 203.289 2.082 10 0 BEAELP Cc1[nH+]c2ccccc2n1CC[C@H](C)[NH3+] ZINC000020429237 180104424 /nfs/dbraw/zinc/10/44/24/180104424.db2.gz SUVMBHNUVOXXFS-VIFPVBQESA-N 2 2 203.289 2.082 10 0 BEAELP CCC[C@H]1CCCC[C@@H]1[NH2+]CC[NH+](C)C ZINC000309237492 350215883 /nfs/dbraw/zinc/21/58/83/350215883.db2.gz XTQGMOUBYATGCW-STQMWFEESA-N 2 2 212.381 2.497 10 0 BEAELP Cc1[nH+]cccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128062492 180226296 /nfs/dbraw/zinc/22/62/96/180226296.db2.gz WWMSYRVMYFQVHR-CHWSQXEVSA-N 2 2 231.343 2.429 10 0 BEAELP Cc1[nH+]cccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128062492 180226299 /nfs/dbraw/zinc/22/62/99/180226299.db2.gz WWMSYRVMYFQVHR-CHWSQXEVSA-N 2 2 231.343 2.429 10 0 BEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCF ZINC000151438274 180269994 /nfs/dbraw/zinc/26/99/94/180269994.db2.gz HFEQVGXIKGATBZ-GFCCVEGCSA-N 2 2 225.311 2.016 10 0 BEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCF ZINC000151438274 180269997 /nfs/dbraw/zinc/26/99/97/180269997.db2.gz HFEQVGXIKGATBZ-GFCCVEGCSA-N 2 2 225.311 2.016 10 0 BEAELP Cc1ncsc1C[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235620559 180319013 /nfs/dbraw/zinc/31/90/13/180319013.db2.gz SFDYCMUUPNBXLS-GXSJLCMTSA-N 2 2 239.388 2.011 10 0 BEAELP Cc1ncsc1C[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235620559 180319017 /nfs/dbraw/zinc/31/90/17/180319017.db2.gz SFDYCMUUPNBXLS-GXSJLCMTSA-N 2 2 239.388 2.011 10 0 BEAELP Cc1c(N)c[nH+]cc1C1=CC[C@@]2(C[C@@H]2[NH3+])CC1 ZINC000725265117 538092611 /nfs/dbraw/zinc/09/26/11/538092611.db2.gz GXTHDMZKUGOETO-KBPBESRZSA-N 2 2 229.327 2.257 10 0 BEAELP CC(C)[N@@H+]1CCCC[C@H](n2cc[nH+]c2)C1 ZINC000616604478 350793321 /nfs/dbraw/zinc/79/33/21/350793321.db2.gz PTSZQAKSUQZHQM-LBPRGKRZSA-N 2 2 207.321 2.319 10 0 BEAELP CC(C)[N@H+]1CCCC[C@H](n2cc[nH+]c2)C1 ZINC000616604478 350793322 /nfs/dbraw/zinc/79/33/22/350793322.db2.gz PTSZQAKSUQZHQM-LBPRGKRZSA-N 2 2 207.321 2.319 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccc2ncccc2c1 ZINC000616608291 350804516 /nfs/dbraw/zinc/80/45/16/350804516.db2.gz REVVAOMOOAPYOL-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H]1c1ccc2ncccc2c1 ZINC000616608291 350804517 /nfs/dbraw/zinc/80/45/17/350804517.db2.gz REVVAOMOOAPYOL-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP CC(C)(C)[N@@H+]1CC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616614616 350836175 /nfs/dbraw/zinc/83/61/75/350836175.db2.gz SBZNKJXDWDRPEN-LLVKDONJSA-N 2 2 219.332 2.082 10 0 BEAELP CC(C)(C)[N@H+]1CC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616614616 350836179 /nfs/dbraw/zinc/83/61/79/350836179.db2.gz SBZNKJXDWDRPEN-LLVKDONJSA-N 2 2 219.332 2.082 10 0 BEAELP CNc1ccccc1[C@H]1CCCC[N@@H+]1CC[NH3+] ZINC000616615194 350845348 /nfs/dbraw/zinc/84/53/48/350845348.db2.gz SFBGPLUJBGGXGF-CQSZACIVSA-N 2 2 233.359 2.214 10 0 BEAELP CNc1ccccc1[C@H]1CCCC[N@H+]1CC[NH3+] ZINC000616615194 350845352 /nfs/dbraw/zinc/84/53/52/350845352.db2.gz SFBGPLUJBGGXGF-CQSZACIVSA-N 2 2 233.359 2.214 10 0 BEAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccccc1CO ZINC000616626297 351106366 /nfs/dbraw/zinc/10/63/66/351106366.db2.gz CGSZYBYSEZLNOB-HNNXBMFYSA-N 2 2 248.370 2.055 10 0 BEAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccccc1CO ZINC000616626297 351106368 /nfs/dbraw/zinc/10/63/68/351106368.db2.gz CGSZYBYSEZLNOB-HNNXBMFYSA-N 2 2 248.370 2.055 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000616627547 351095978 /nfs/dbraw/zinc/09/59/78/351095978.db2.gz HEIQHFLIIDXIQV-LBPRGKRZSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000616627547 351095982 /nfs/dbraw/zinc/09/59/82/351095982.db2.gz HEIQHFLIIDXIQV-LBPRGKRZSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cccc(F)c2)CC1 ZINC000616628556 351098411 /nfs/dbraw/zinc/09/84/11/351098411.db2.gz MXJJOUGIGPBMJG-LBPRGKRZSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H](c2cccc(F)c2)CC1 ZINC000616628556 351098413 /nfs/dbraw/zinc/09/84/13/351098413.db2.gz MXJJOUGIGPBMJG-LBPRGKRZSA-N 2 2 236.334 2.354 10 0 BEAELP CC(C)CC[NH2+]CC1CC(n2cc[nH+]c2)C1 ZINC000725269282 538101249 /nfs/dbraw/zinc/10/12/49/538101249.db2.gz OEMLANCULNOGPQ-UHFFFAOYSA-N 2 2 221.348 2.470 10 0 BEAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1cccc(F)c1 ZINC000022215943 188008482 /nfs/dbraw/zinc/00/84/82/188008482.db2.gz PSVPRQHVVCRNTM-GFCCVEGCSA-N 2 2 210.296 2.166 10 0 BEAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1cccc(F)c1 ZINC000022215943 188008484 /nfs/dbraw/zinc/00/84/84/188008484.db2.gz PSVPRQHVVCRNTM-GFCCVEGCSA-N 2 2 210.296 2.166 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@H]1CCC=CO1 ZINC000050269097 188045901 /nfs/dbraw/zinc/04/59/01/188045901.db2.gz BOEVCUFPFMFZNW-ZIAGYGMSSA-N 2 2 240.391 2.245 10 0 BEAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCSC1 ZINC000061588149 188050296 /nfs/dbraw/zinc/05/02/96/188050296.db2.gz MJZAIMVKMCPHAS-STQMWFEESA-N 2 2 244.448 2.448 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000304555654 188250485 /nfs/dbraw/zinc/25/04/85/188250485.db2.gz VCTTVTUUBPDLPU-YNEHKIRRSA-N 2 2 244.448 2.304 10 0 BEAELP CC(C)C[C@@](C)(C[NH3+])[N@H+](C)Cc1ccccn1 ZINC000036777259 188285866 /nfs/dbraw/zinc/28/58/66/188285866.db2.gz BMYPWAQVQHFAOV-AWEZNQCLSA-N 2 2 235.375 2.277 10 0 BEAELP CC(C)C[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccccn1 ZINC000036777259 188285867 /nfs/dbraw/zinc/28/58/67/188285867.db2.gz BMYPWAQVQHFAOV-AWEZNQCLSA-N 2 2 235.375 2.277 10 0 BEAELP CC(C)C[C@@H]1C[N@H+](Cc2ccco2)CCC[NH2+]1 ZINC000062618207 188303212 /nfs/dbraw/zinc/30/32/12/188303212.db2.gz HNRGYELGWRADFP-CYBMUJFWSA-N 2 2 236.359 2.490 10 0 BEAELP CC(C)C[C@@H]1C[N@@H+](Cc2ccco2)CCC[NH2+]1 ZINC000062618207 188303214 /nfs/dbraw/zinc/30/32/14/188303214.db2.gz HNRGYELGWRADFP-CYBMUJFWSA-N 2 2 236.359 2.490 10 0 BEAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@]2(CCCCO2)C1 ZINC000366833389 353927437 /nfs/dbraw/zinc/92/74/37/353927437.db2.gz KQFRDBZYBIRVDQ-CQSZACIVSA-N 2 2 240.391 2.020 10 0 BEAELP CC(C)[NH2+]CC[N@H+]1CCC[C@]2(CCCCO2)C1 ZINC000366833389 353927440 /nfs/dbraw/zinc/92/74/40/353927440.db2.gz KQFRDBZYBIRVDQ-CQSZACIVSA-N 2 2 240.391 2.020 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccsc2C)C1 ZINC000389167591 355747107 /nfs/dbraw/zinc/74/71/07/355747107.db2.gz MWVIJVUITHNPDZ-LBPRGKRZSA-N 2 2 224.373 2.240 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccsc2C)C1 ZINC000389167591 355747109 /nfs/dbraw/zinc/74/71/09/355747109.db2.gz MWVIJVUITHNPDZ-LBPRGKRZSA-N 2 2 224.373 2.240 10 0 BEAELP c1cn([C@H]2CCCC[C@H]2[NH2+]CC2CC2)c[nH+]1 ZINC000675055548 538475714 /nfs/dbraw/zinc/47/57/14/538475714.db2.gz VYXKXBZJIAJSJJ-OLZOCXBDSA-N 2 2 219.332 2.366 10 0 BEAELP C[C@@H]1CCC[N@H+](CC23CCC(CC2)[NH2+]3)[C@H]1C ZINC000675056025 538476976 /nfs/dbraw/zinc/47/69/76/538476976.db2.gz IJJZVLHCRWUGLT-KBHBFKLGSA-N 2 2 222.376 2.391 10 0 BEAELP C[C@@H]1CCC[N@@H+](CC23CCC(CC2)[NH2+]3)[C@H]1C ZINC000675056025 538476981 /nfs/dbraw/zinc/47/69/81/538476981.db2.gz IJJZVLHCRWUGLT-KBHBFKLGSA-N 2 2 222.376 2.391 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000389421814 356656853 /nfs/dbraw/zinc/65/68/53/356656853.db2.gz VORQFCKPMIDUPW-AJHXJQRKSA-N 2 2 230.355 2.384 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000389421814 356656857 /nfs/dbraw/zinc/65/68/57/356656857.db2.gz VORQFCKPMIDUPW-AJHXJQRKSA-N 2 2 230.355 2.384 10 0 BEAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)c(F)c1 ZINC000257585629 538738073 /nfs/dbraw/zinc/73/80/73/538738073.db2.gz KDJJDGQYCDVRRQ-SKDRFNHKSA-N 2 2 226.270 2.059 10 0 BEAELP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)c(F)c1 ZINC000257585629 538738079 /nfs/dbraw/zinc/73/80/79/538738079.db2.gz KDJJDGQYCDVRRQ-SKDRFNHKSA-N 2 2 226.270 2.059 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000389547847 356987314 /nfs/dbraw/zinc/98/73/14/356987314.db2.gz NAPZMTXDPSLENO-CYBMUJFWSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000389547847 356987317 /nfs/dbraw/zinc/98/73/17/356987317.db2.gz NAPZMTXDPSLENO-CYBMUJFWSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000389586877 356995860 /nfs/dbraw/zinc/99/58/60/356995860.db2.gz ZCLLSMKBPCVGDQ-ZOBORPQBSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000389586877 356995862 /nfs/dbraw/zinc/99/58/62/356995862.db2.gz ZCLLSMKBPCVGDQ-ZOBORPQBSA-N 2 2 224.392 2.495 10 0 BEAELP Cc1ccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000584457371 357973808 /nfs/dbraw/zinc/97/38/08/357973808.db2.gz RDYMRTLKXDPAKL-VXGBXAGGSA-N 2 2 219.332 2.190 10 0 BEAELP Cc1ccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000584457370 357974230 /nfs/dbraw/zinc/97/42/30/357974230.db2.gz RDYMRTLKXDPAKL-RYUDHWBXSA-N 2 2 219.332 2.190 10 0 BEAELP c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]23)cc1 ZINC000224145214 358610776 /nfs/dbraw/zinc/61/07/76/358610776.db2.gz SCTRVPQBVADAOD-KBPBESRZSA-N 2 2 216.328 2.013 10 0 BEAELP c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000224145214 358610779 /nfs/dbraw/zinc/61/07/79/358610779.db2.gz SCTRVPQBVADAOD-KBPBESRZSA-N 2 2 216.328 2.013 10 0 BEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCF)C1 ZINC000130273612 358615930 /nfs/dbraw/zinc/61/59/30/358615930.db2.gz OKOVFZYGFXIHDK-GFCCVEGCSA-N 2 2 239.338 2.442 10 0 BEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCF)C1 ZINC000130273612 358615934 /nfs/dbraw/zinc/61/59/34/358615934.db2.gz OKOVFZYGFXIHDK-GFCCVEGCSA-N 2 2 239.338 2.442 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309035663 491142943 /nfs/dbraw/zinc/14/29/43/491142943.db2.gz HXXQQPXGOAOECU-ZYHUDNBSSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309035663 491142944 /nfs/dbraw/zinc/14/29/44/491142944.db2.gz HXXQQPXGOAOECU-ZYHUDNBSSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]C2CC(C)(C)C2)[C@@H](C)C1 ZINC000309035661 491142976 /nfs/dbraw/zinc/14/29/76/491142976.db2.gz HXXQQPXGOAOECU-JQWIXIFHSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]C2CC(C)(C)C2)[C@@H](C)C1 ZINC000309035661 491142977 /nfs/dbraw/zinc/14/29/77/491142977.db2.gz HXXQQPXGOAOECU-JQWIXIFHSA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@@H](C)C[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000093066661 360213484 /nfs/dbraw/zinc/21/34/84/360213484.db2.gz IEOQKEFEHSHTPG-ZYHUDNBSSA-N 2 2 221.348 2.142 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000309440418 491148272 /nfs/dbraw/zinc/14/82/72/491148272.db2.gz IIDFVMYKBQJBBO-MELADBBJSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000309440418 491148273 /nfs/dbraw/zinc/14/82/73/491148273.db2.gz IIDFVMYKBQJBBO-MELADBBJSA-N 2 2 222.376 2.249 10 0 BEAELP Cc1ccc([C@H]2[C@H]([NH3+])CCC[N@H+]2C)s1 ZINC000069798552 360557324 /nfs/dbraw/zinc/55/73/24/360557324.db2.gz FQRWSNZJFFPWQY-MWLCHTKSSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccc([C@H]2[C@H]([NH3+])CCC[N@@H+]2C)s1 ZINC000069798552 360557329 /nfs/dbraw/zinc/55/73/29/360557329.db2.gz FQRWSNZJFFPWQY-MWLCHTKSSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccc([C@@H]2[C@@H]([NH3+])CCC[N@H+]2C)s1 ZINC000069798554 360557433 /nfs/dbraw/zinc/55/74/33/360557433.db2.gz FQRWSNZJFFPWQY-ONGXEEELSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccc([C@@H]2[C@@H]([NH3+])CCC[N@@H+]2C)s1 ZINC000069798554 360557441 /nfs/dbraw/zinc/55/74/41/360557441.db2.gz FQRWSNZJFFPWQY-ONGXEEELSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccc([C@@H]2[C@H]([NH3+])CCC[N@H+]2C)s1 ZINC000069798551 360557731 /nfs/dbraw/zinc/55/77/31/360557731.db2.gz FQRWSNZJFFPWQY-KOLCDFICSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccc([C@@H]2[C@H]([NH3+])CCC[N@@H+]2C)s1 ZINC000069798551 360557739 /nfs/dbraw/zinc/55/77/39/360557739.db2.gz FQRWSNZJFFPWQY-KOLCDFICSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccsc1[C@H]1[C@H]([NH3+])CCC[N@H+]1C ZINC000069798598 360559109 /nfs/dbraw/zinc/55/91/09/360559109.db2.gz YEJWTMZVXQDRQE-NXEZZACHSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccsc1[C@H]1[C@H]([NH3+])CCC[N@@H+]1C ZINC000069798598 360559114 /nfs/dbraw/zinc/55/91/14/360559114.db2.gz YEJWTMZVXQDRQE-NXEZZACHSA-N 2 2 210.346 2.151 10 0 BEAELP [NH3+][C@@H](CCNc1cccc[nH+]1)Cc1ccccc1 ZINC000630572278 364268793 /nfs/dbraw/zinc/26/87/93/364268793.db2.gz QOCVVMHQJXSCJR-AWEZNQCLSA-N 2 2 241.338 2.454 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccsc2)C1 ZINC000328145137 364812370 /nfs/dbraw/zinc/81/23/70/364812370.db2.gz AGKNNKXHZRLTCV-AAEUAGOBSA-N 2 2 238.400 2.363 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccsc2)C1 ZINC000328145137 364812371 /nfs/dbraw/zinc/81/23/71/364812371.db2.gz AGKNNKXHZRLTCV-AAEUAGOBSA-N 2 2 238.400 2.363 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccco2)C1 ZINC000328205506 364818900 /nfs/dbraw/zinc/81/89/00/364818900.db2.gz TXNPRKVWLQSSHG-CHWSQXEVSA-N 2 2 236.359 2.285 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccco2)C1 ZINC000328205506 364818903 /nfs/dbraw/zinc/81/89/03/364818903.db2.gz TXNPRKVWLQSSHG-CHWSQXEVSA-N 2 2 236.359 2.285 10 0 BEAELP [NH3+]CCCc1[nH]cc(-c2ccc(F)cc2)[nH+]1 ZINC000036876219 181387764 /nfs/dbraw/zinc/38/77/64/181387764.db2.gz QPEFSBCKTWWRID-UHFFFAOYSA-N 2 2 219.263 2.107 10 0 BEAELP c1cn(C2CCC3(CC[NH2+]CC3)CC2)c[nH+]1 ZINC000113932926 370515819 /nfs/dbraw/zinc/51/58/19/370515819.db2.gz QLNLFUAELHBSFU-UHFFFAOYSA-N 2 2 219.332 2.368 10 0 BEAELP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccccc2)C1 ZINC000038860725 372794808 /nfs/dbraw/zinc/79/48/08/372794808.db2.gz LHQTWACZUTUCKS-JSGCOSHPSA-N 2 2 218.344 2.418 10 0 BEAELP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccccc2)C1 ZINC000038860725 372794814 /nfs/dbraw/zinc/79/48/14/372794814.db2.gz LHQTWACZUTUCKS-JSGCOSHPSA-N 2 2 218.344 2.418 10 0 BEAELP C[N@@H+]1CCCC[C@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799268 373807227 /nfs/dbraw/zinc/80/72/27/373807227.db2.gz QCBIQUCYHQZHNA-QWRGUYRKSA-N 2 2 210.346 2.232 10 0 BEAELP C[N@H+]1CCCC[C@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799268 373807233 /nfs/dbraw/zinc/80/72/33/373807233.db2.gz QCBIQUCYHQZHNA-QWRGUYRKSA-N 2 2 210.346 2.232 10 0 BEAELP CCc1ccc([C@H]2[C@@H]([NH3+])CC[N@@H+]2C)s1 ZINC000069799061 373807887 /nfs/dbraw/zinc/80/78/87/373807887.db2.gz QGKVGOILMQULDH-GXSJLCMTSA-N 2 2 210.346 2.014 10 0 BEAELP CCc1ccc([C@H]2[C@@H]([NH3+])CC[N@H+]2C)s1 ZINC000069799061 373807891 /nfs/dbraw/zinc/80/78/91/373807891.db2.gz QGKVGOILMQULDH-GXSJLCMTSA-N 2 2 210.346 2.014 10 0 BEAELP CC(C)(C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000143401646 374178148 /nfs/dbraw/zinc/17/81/48/374178148.db2.gz JUUOSQUHDREBBU-UHFFFAOYSA-N 2 2 207.321 2.319 10 0 BEAELP CCCCc1nc(NCCC[NH3+])c2c([nH+]1)CCC2 ZINC000057328803 169027663 /nfs/dbraw/zinc/02/76/63/169027663.db2.gz JBTMXPRAACTGFK-UHFFFAOYSA-N 2 2 248.374 2.069 10 0 BEAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccc(OCC)cc1 ZINC000020226248 169087056 /nfs/dbraw/zinc/08/70/56/169087056.db2.gz AHKVLIKWRYLQOI-AWEZNQCLSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(OCC)cc1 ZINC000020226248 169087058 /nfs/dbraw/zinc/08/70/58/169087058.db2.gz AHKVLIKWRYLQOI-AWEZNQCLSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccccc1OCC ZINC000020226159 169087887 /nfs/dbraw/zinc/08/78/87/169087887.db2.gz KVXQGZSHIZXKPW-CYBMUJFWSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[N@@H+](C)[C@H](C[NH3+])c1ccccc1OCC ZINC000020226159 169087888 /nfs/dbraw/zinc/08/78/88/169087888.db2.gz KVXQGZSHIZXKPW-CYBMUJFWSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[N@H+](C[C@@H]([NH3+])CC(C)C)CC1CC1 ZINC000042491173 169138484 /nfs/dbraw/zinc/13/84/84/169138484.db2.gz KQTKIUKWZJOHSA-ZDUSSCGKSA-N 2 2 212.381 2.482 10 0 BEAELP CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)CC1CC1 ZINC000042491173 169138487 /nfs/dbraw/zinc/13/84/87/169138487.db2.gz KQTKIUKWZJOHSA-ZDUSSCGKSA-N 2 2 212.381 2.482 10 0 BEAELP CCC[NH+](CCC)C[C@@H]([NH3+])[C@H](C)CC ZINC000039141053 169147260 /nfs/dbraw/zinc/14/72/60/169147260.db2.gz YJLWEGPFWMDFOF-VXGBXAGGSA-N 2 2 200.370 2.482 10 0 BEAELP CCC[N@H+](CC[NH3+])Cc1ccc(CC)cc1 ZINC000032013792 169157834 /nfs/dbraw/zinc/15/78/34/169157834.db2.gz LZMRJMQGEAEKQI-UHFFFAOYSA-N 2 2 220.360 2.420 10 0 BEAELP CCC[N@@H+](CC[NH3+])Cc1ccc(CC)cc1 ZINC000032013792 169157835 /nfs/dbraw/zinc/15/78/35/169157835.db2.gz LZMRJMQGEAEKQI-UHFFFAOYSA-N 2 2 220.360 2.420 10 0 BEAELP CCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178330120 169200110 /nfs/dbraw/zinc/20/01/10/169200110.db2.gz BVEARDKCZNMTGI-LBPRGKRZSA-N 2 2 207.321 2.066 10 0 BEAELP CCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178330120 169200111 /nfs/dbraw/zinc/20/01/11/169200111.db2.gz BVEARDKCZNMTGI-LBPRGKRZSA-N 2 2 207.321 2.066 10 0 BEAELP CCC[NH2+][C@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000043814912 169285859 /nfs/dbraw/zinc/28/58/59/169285859.db2.gz KWKJUYSOSSASRD-CYBMUJFWSA-N 2 2 232.371 2.433 10 0 BEAELP CCC[NH2+][C@H](C)C[N@H+]1CCc2ccccc2C1 ZINC000043814912 169285860 /nfs/dbraw/zinc/28/58/60/169285860.db2.gz KWKJUYSOSSASRD-CYBMUJFWSA-N 2 2 232.371 2.433 10 0 BEAELP c1ccc(CCC[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020127030 183391491 /nfs/dbraw/zinc/39/14/91/183391491.db2.gz OURSPYYUNXNPLL-UHFFFAOYSA-N 2 2 232.371 2.305 10 0 BEAELP c1ccc(C[N@@H+]2CCC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000076677780 183399098 /nfs/dbraw/zinc/39/90/98/183399098.db2.gz LKNBKHREDVCVHZ-LSDHHAIUSA-N 2 2 230.355 2.261 10 0 BEAELP c1ccc(C[N@H+]2CCC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000076677780 183399100 /nfs/dbraw/zinc/39/91/00/183399100.db2.gz LKNBKHREDVCVHZ-LSDHHAIUSA-N 2 2 230.355 2.261 10 0 BEAELP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1CCOCC ZINC000111712152 169275985 /nfs/dbraw/zinc/27/59/85/169275985.db2.gz IUXINOUYLROXQS-UONOGXRCSA-N 2 2 242.407 2.266 10 0 BEAELP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1CCOCC ZINC000111712152 169275987 /nfs/dbraw/zinc/27/59/87/169275987.db2.gz IUXINOUYLROXQS-UONOGXRCSA-N 2 2 242.407 2.266 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccncc2)[C@H](C)C1 ZINC000049712483 169283243 /nfs/dbraw/zinc/28/32/43/169283243.db2.gz FUTBRCYSWXENCB-UKRRQHHQSA-N 2 2 247.386 2.434 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccncc2)[C@H](C)C1 ZINC000049712483 169283245 /nfs/dbraw/zinc/28/32/45/169283245.db2.gz FUTBRCYSWXENCB-UKRRQHHQSA-N 2 2 247.386 2.434 10 0 BEAELP CCCOc1ccc([C@H](C[NH3+])[NH2+]C(C)C)cc1 ZINC000052920127 169322378 /nfs/dbraw/zinc/32/23/78/169322378.db2.gz GNIFUQYSKOPKNL-AWEZNQCLSA-N 2 2 236.359 2.473 10 0 BEAELP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000019946918 183446506 /nfs/dbraw/zinc/44/65/06/183446506.db2.gz RSXVULTVCFPDHE-HOTGVXAUSA-N 2 2 242.366 2.358 10 0 BEAELP CCC[C@@H](C)C[NH2+]CC[NH+](CC)CC ZINC000020089740 169358868 /nfs/dbraw/zinc/35/88/68/169358868.db2.gz ZYWDLPSORKDCAW-GFCCVEGCSA-N 2 2 200.370 2.354 10 0 BEAELP CCC[C@@H](C)C[NH2+]CC[NH+]1CCCCC1 ZINC000049574614 169359152 /nfs/dbraw/zinc/35/91/52/169359152.db2.gz HFNLPCSLCUZDRI-CYBMUJFWSA-N 2 2 212.381 2.498 10 0 BEAELP CCC[C@@H](C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000022167885 169383646 /nfs/dbraw/zinc/38/36/46/169383646.db2.gz VLUJGDFFOMQRJF-AWEZNQCLSA-N 2 2 218.344 2.172 10 0 BEAELP CCC[C@@H](C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000022167885 169383647 /nfs/dbraw/zinc/38/36/47/169383647.db2.gz VLUJGDFFOMQRJF-AWEZNQCLSA-N 2 2 218.344 2.172 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000348149545 383901103 /nfs/dbraw/zinc/90/11/03/383901103.db2.gz KDASVDATUQJTTP-RFHZTLPTSA-N 2 2 222.376 2.247 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000348149545 383901105 /nfs/dbraw/zinc/90/11/05/383901105.db2.gz KDASVDATUQJTTP-RFHZTLPTSA-N 2 2 222.376 2.247 10 0 BEAELP CC1CCC(C[NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313300127 384241985 /nfs/dbraw/zinc/24/19/85/384241985.db2.gz NWUCRECURGBPLP-UHFFFAOYSA-N 2 2 235.375 2.379 10 0 BEAELP CC[C@@H](C)C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000133526164 384298261 /nfs/dbraw/zinc/29/82/61/384298261.db2.gz MJFVBXWXQDFPOI-GFCCVEGCSA-N 2 2 244.342 2.403 10 0 BEAELP c1[nH]cc(CCCNc2[nH]c3ccccc3[nH+]2)[nH+]1 ZINC000013479414 384362774 /nfs/dbraw/zinc/36/27/74/384362774.db2.gz XAJKXTPKZFCYPN-UHFFFAOYSA-N 2 2 241.298 2.331 10 0 in-vitro BEAELP Fc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC000095937448 384417473 /nfs/dbraw/zinc/41/74/73/384417473.db2.gz IKORRSDRCYVOLY-UHFFFAOYSA-N 2 2 234.318 2.011 10 0 BEAELP Fc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC000095937448 384417476 /nfs/dbraw/zinc/41/74/76/384417476.db2.gz IKORRSDRCYVOLY-UHFFFAOYSA-N 2 2 234.318 2.011 10 0 BEAELP C[NH2+][C@]1(C)CCC[N@H+](Cc2ccccc2)C1 ZINC000076647055 384381069 /nfs/dbraw/zinc/38/10/69/384381069.db2.gz BNJRIWMGWFXOQI-CQSZACIVSA-N 2 2 218.344 2.261 10 0 BEAELP C[NH2+][C@]1(C)CCC[N@@H+](Cc2ccccc2)C1 ZINC000076647055 384381076 /nfs/dbraw/zinc/38/10/76/384381076.db2.gz BNJRIWMGWFXOQI-CQSZACIVSA-N 2 2 218.344 2.261 10 0 BEAELP CCc1cccc2c([C@H](C[NH3+])[NH+](C)C)c[nH]c21 ZINC000082345255 384670236 /nfs/dbraw/zinc/67/02/36/384670236.db2.gz WUWKHQMLFFVFKW-ZDUSSCGKSA-N 2 2 231.343 2.292 10 0 BEAELP CC(C)(C)C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000374147552 384656858 /nfs/dbraw/zinc/65/68/58/384656858.db2.gz VLRFWEKRUXOLDD-NSHDSACASA-N 2 2 221.348 2.396 10 0 BEAELP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000052275132 384727363 /nfs/dbraw/zinc/72/73/63/384727363.db2.gz KHTYPFSDARRSGL-BMFZPTHFSA-N 2 2 244.382 2.301 10 0 BEAELP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000052275132 384727372 /nfs/dbraw/zinc/72/73/72/384727372.db2.gz KHTYPFSDARRSGL-BMFZPTHFSA-N 2 2 244.382 2.301 10 0 BEAELP C[NH2+][C@H]1CCC[N@@H+]([C@@H](C)c2cccs2)C1 ZINC000053201183 384772059 /nfs/dbraw/zinc/77/20/59/384772059.db2.gz ZNEGBTJZMXSFAT-QWRGUYRKSA-N 2 2 224.373 2.493 10 0 BEAELP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)c2cccs2)C1 ZINC000053201183 384772067 /nfs/dbraw/zinc/77/20/67/384772067.db2.gz ZNEGBTJZMXSFAT-QWRGUYRKSA-N 2 2 224.373 2.493 10 0 BEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000107786869 384783861 /nfs/dbraw/zinc/78/38/61/384783861.db2.gz ZERFQJUKSDDOJE-OCCSQVGLSA-N 2 2 248.370 2.440 10 0 BEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000107786869 384783869 /nfs/dbraw/zinc/78/38/69/384783869.db2.gz ZERFQJUKSDDOJE-OCCSQVGLSA-N 2 2 248.370 2.440 10 0 BEAELP Cc1cn2c([nH+]1)CC[C@H]([NH2+]CCC(C)C)C2 ZINC000375511703 384790651 /nfs/dbraw/zinc/79/06/51/384790651.db2.gz PHCYNBDOBNYGQR-LBPRGKRZSA-N 2 2 221.348 2.142 10 0 BEAELP C[C@H]1c2ccsc2CC[N@H+]1CC(C)(C)[NH3+] ZINC000042781810 384862574 /nfs/dbraw/zinc/86/25/74/384862574.db2.gz DBMSCGBWYUAEPM-VIFPVBQESA-N 2 2 224.373 2.405 10 0 BEAELP C[C@H]1c2ccsc2CC[N@@H+]1CC(C)(C)[NH3+] ZINC000042781810 384862580 /nfs/dbraw/zinc/86/25/80/384862580.db2.gz DBMSCGBWYUAEPM-VIFPVBQESA-N 2 2 224.373 2.405 10 0 BEAELP CSCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178315701 385353664 /nfs/dbraw/zinc/35/36/64/385353664.db2.gz WGQJQCOFEHLEIV-GFCCVEGCSA-N 2 2 239.388 2.019 10 0 BEAELP CSCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178315701 385353667 /nfs/dbraw/zinc/35/36/67/385353667.db2.gz WGQJQCOFEHLEIV-GFCCVEGCSA-N 2 2 239.388 2.019 10 0 BEAELP CC[C@H]([NH2+]CC[NH+]1CCCC1)C(C)(C)C ZINC000309191177 385457768 /nfs/dbraw/zinc/45/77/68/385457768.db2.gz PQRNGFZYZYOAAQ-LBPRGKRZSA-N 2 2 212.381 2.497 10 0 BEAELP FCC[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000309583018 385715143 /nfs/dbraw/zinc/71/51/43/385715143.db2.gz RCOASHRCCUVRGK-OLZOCXBDSA-N 2 2 228.355 2.200 10 0 BEAELP COc1ccc[nH+]c1N[C@@H](C)CCCC[NH3+] ZINC000309445024 386010052 /nfs/dbraw/zinc/01/00/52/386010052.db2.gz MRLXYIZTLUSJIY-JTQLQIEISA-N 2 2 223.320 2.020 10 0 BEAELP C[C@]1(C[NH+]2Cc3ccccc3C2)CC[NH2+]C1 ZINC000062912353 386531938 /nfs/dbraw/zinc/53/19/38/386531938.db2.gz IJVMJWNZACCMMK-AWEZNQCLSA-N 2 2 216.328 2.002 10 0 BEAELP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336782301 386626077 /nfs/dbraw/zinc/62/60/77/386626077.db2.gz XEZSSLDFOGGOPB-STQMWFEESA-N 2 2 230.371 2.446 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000418090402 387098622 /nfs/dbraw/zinc/09/86/22/387098622.db2.gz CMXJJBNMCSWNCR-PMPSAXMXSA-N 2 2 244.382 2.474 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000418090402 387098625 /nfs/dbraw/zinc/09/86/25/387098625.db2.gz CMXJJBNMCSWNCR-PMPSAXMXSA-N 2 2 244.382 2.474 10 0 BEAELP [NH3+]CCC[C@@H]([NH3+])c1cc(Cl)c(O)c(Cl)c1 ZINC000575439400 387124497 /nfs/dbraw/zinc/12/44/97/387124497.db2.gz IUXQQDXVRQRBBC-SECBINFHSA-N 2 2 249.141 2.438 10 0 BEAELP [NH3+]CC[C@H]([NH3+])c1cc(Cl)c(O)c(Cl)c1 ZINC000575440171 387127980 /nfs/dbraw/zinc/12/79/80/387127980.db2.gz MEDFFGYKCPXMGK-QMMMGPOBSA-N 2 2 235.114 2.048 10 0 BEAELP FCC[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000285707790 387281267 /nfs/dbraw/zinc/28/12/67/387281267.db2.gz PJMATPSIJIWKCB-RYUDHWBXSA-N 2 2 225.311 2.001 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324854549 387540878 /nfs/dbraw/zinc/54/08/78/387540878.db2.gz ZARWZQRIBIMINB-KBPBESRZSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324854549 387540882 /nfs/dbraw/zinc/54/08/82/387540882.db2.gz ZARWZQRIBIMINB-KBPBESRZSA-N 2 2 222.376 2.249 10 0 BEAELP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)o1 ZINC000396663477 387940384 /nfs/dbraw/zinc/94/03/84/387940384.db2.gz OMNGLZGGGDOHNP-GRYCIOLGSA-N 2 2 222.332 2.379 10 0 BEAELP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)o1 ZINC000396663486 387940406 /nfs/dbraw/zinc/94/04/06/387940406.db2.gz OMNGLZGGGDOHNP-WOPDTQHZSA-N 2 2 222.332 2.379 10 0 BEAELP CCC[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000336721904 388469212 /nfs/dbraw/zinc/46/92/12/388469212.db2.gz DPYAAGAVNHFDAJ-STQMWFEESA-N 2 2 221.348 2.442 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C)n2)[C@H](C)C1 ZINC000127236239 388718640 /nfs/dbraw/zinc/71/86/40/388718640.db2.gz PNBXBKBHDRNGRS-DOMZBBRYSA-N 2 2 247.386 2.210 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C)n2)[C@H](C)C1 ZINC000127236239 388718644 /nfs/dbraw/zinc/71/86/44/388718644.db2.gz PNBXBKBHDRNGRS-DOMZBBRYSA-N 2 2 247.386 2.210 10 0 BEAELP CCC[NH2+]C[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000053701592 132363136 /nfs/dbraw/zinc/36/31/36/132363136.db2.gz MRQRMLBECMCEEL-ZDUSSCGKSA-N 2 2 248.374 2.001 10 0 BEAELP CC[NH2+][C@H]1CCN(c2c[nH+]ccc2C)[C@H](C)C1 ZINC000071414008 132392113 /nfs/dbraw/zinc/39/21/13/132392113.db2.gz CBCUDBSDPIFHMV-OLZOCXBDSA-N 2 2 233.359 2.357 10 0 BEAELP CC[C@@H]1CN(c2ccc([NH+](C)C)cc2)[C@H](C)C[NH2+]1 ZINC000083377666 132424827 /nfs/dbraw/zinc/42/48/27/132424827.db2.gz ASEQSYXENDUMDP-CHWSQXEVSA-N 2 2 247.386 2.329 10 0 BEAELP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000177080836 134297339 /nfs/dbraw/zinc/29/73/39/134297339.db2.gz DQZGCKWFKCEZPP-GFCCVEGCSA-N 2 2 231.299 2.350 10 0 BEAELP Cn1c[nH+]cc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000177080836 134297340 /nfs/dbraw/zinc/29/73/40/134297340.db2.gz DQZGCKWFKCEZPP-GFCCVEGCSA-N 2 2 231.299 2.350 10 0 BEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000221149129 134317213 /nfs/dbraw/zinc/31/72/13/134317213.db2.gz AIFKGYWNPNWFCC-CGAUPDFVSA-N 2 2 248.414 2.495 10 0 BEAELP C[N@H+]1CCC[C@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000221149129 134317214 /nfs/dbraw/zinc/31/72/14/134317214.db2.gz AIFKGYWNPNWFCC-CGAUPDFVSA-N 2 2 248.414 2.495 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000252727483 135102510 /nfs/dbraw/zinc/10/25/10/135102510.db2.gz GLDSCMYJYQBWQM-NMKXLXIOSA-N 2 2 222.376 2.390 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000252727483 135102513 /nfs/dbraw/zinc/10/25/13/135102513.db2.gz GLDSCMYJYQBWQM-NMKXLXIOSA-N 2 2 222.376 2.390 10 0 BEAELP C[C@H]1CC[N@H+](Cc2cccs2)[C@H](C[NH3+])C1 ZINC000261535930 135170920 /nfs/dbraw/zinc/17/09/20/135170920.db2.gz PSQDEERQIOFTLM-QWRGUYRKSA-N 2 2 224.373 2.307 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2cccs2)[C@H](C[NH3+])C1 ZINC000261535930 135170921 /nfs/dbraw/zinc/17/09/21/135170921.db2.gz PSQDEERQIOFTLM-QWRGUYRKSA-N 2 2 224.373 2.307 10 0 BEAELP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccccc1OC ZINC000261554909 135194441 /nfs/dbraw/zinc/19/44/41/135194441.db2.gz PJYPOBKNDIFTPW-GVXVVHGQSA-N 2 2 236.359 2.472 10 0 BEAELP Cc1csc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261564475 135205985 /nfs/dbraw/zinc/20/59/85/135205985.db2.gz CPVUCOQHFZWMKW-SNVBAGLBSA-N 2 2 239.388 2.011 10 0 BEAELP Cc1csc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261564475 135205987 /nfs/dbraw/zinc/20/59/87/135205987.db2.gz CPVUCOQHFZWMKW-SNVBAGLBSA-N 2 2 239.388 2.011 10 0 BEAELP Cc1nc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cs1 ZINC000261585121 135225958 /nfs/dbraw/zinc/22/59/58/135225958.db2.gz QFGNKQXMRCFDNU-NSHDSACASA-N 2 2 239.388 2.011 10 0 BEAELP Cc1nc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cs1 ZINC000261585121 135225959 /nfs/dbraw/zinc/22/59/59/135225959.db2.gz QFGNKQXMRCFDNU-NSHDSACASA-N 2 2 239.388 2.011 10 0 BEAELP Nc1cccc2c1CCC[N@@H+]2CC1CC[NH2+]CC1 ZINC000261902694 135261652 /nfs/dbraw/zinc/26/16/52/135261652.db2.gz WHLJZPJDSMYYPE-UHFFFAOYSA-N 2 2 245.370 2.021 10 0 BEAELP Nc1cccc2c1CCC[N@H+]2CC1CC[NH2+]CC1 ZINC000261902694 135261653 /nfs/dbraw/zinc/26/16/53/135261653.db2.gz WHLJZPJDSMYYPE-UHFFFAOYSA-N 2 2 245.370 2.021 10 0 BEAELP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)o1 ZINC000335401019 136094046 /nfs/dbraw/zinc/09/40/46/136094046.db2.gz UTWZKPWIUUIJAK-MNOVXSKESA-N 2 2 237.347 2.103 10 0 BEAELP Cc1cnc([C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)o1 ZINC000335401019 136094047 /nfs/dbraw/zinc/09/40/47/136094047.db2.gz UTWZKPWIUUIJAK-MNOVXSKESA-N 2 2 237.347 2.103 10 0 BEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1(C2CCC2)CCC1 ZINC000649627597 398009086 /nfs/dbraw/zinc/00/90/86/398009086.db2.gz NOVCBGMNRJKWNQ-ZDUSSCGKSA-N 2 2 222.376 2.393 10 0 BEAELP C[N@H+]1CCC[C@H]1C[NH2+]C1(C2CCC2)CCC1 ZINC000649627597 398009089 /nfs/dbraw/zinc/00/90/89/398009089.db2.gz NOVCBGMNRJKWNQ-ZDUSSCGKSA-N 2 2 222.376 2.393 10 0 BEAELP CCc1ccc(C[NH2+]C[C@@H](C)[NH2+]C)s1 ZINC000225381081 487563926 /nfs/dbraw/zinc/56/39/26/487563926.db2.gz ONDUZIWDVXMWII-SECBINFHSA-N 2 2 212.362 2.008 10 0 BEAELP CCn1c[nH+]cc1Cn1c[nH+]c2c1CCCC2 ZINC000130485706 410402446 /nfs/dbraw/zinc/40/24/46/410402446.db2.gz SDPNKWYWIKSXAB-UHFFFAOYSA-N 2 2 230.315 2.027 10 0 BEAELP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000651198456 410857806 /nfs/dbraw/zinc/85/78/06/410857806.db2.gz NTTCTQKLZMVWGM-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000651198456 410857813 /nfs/dbraw/zinc/85/78/13/410857813.db2.gz NTTCTQKLZMVWGM-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000378356641 167008827 /nfs/dbraw/zinc/00/88/27/167008827.db2.gz VXOALNWMIDKNGL-LLVKDONJSA-N 2 2 207.321 2.006 10 0 BEAELP CC(C)[NH2+]CC[N@@H+]1CCCC2(CCC2)C1 ZINC000308981816 167105087 /nfs/dbraw/zinc/10/50/87/167105087.db2.gz IKCZIWZTYKDCTN-UHFFFAOYSA-N 2 2 210.365 2.251 10 0 BEAELP CC(C)[NH2+]CC[N@H+]1CCCC2(CCC2)C1 ZINC000308981816 167105088 /nfs/dbraw/zinc/10/50/88/167105088.db2.gz IKCZIWZTYKDCTN-UHFFFAOYSA-N 2 2 210.365 2.251 10 0 BEAELP CC(C)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000125251237 167140855 /nfs/dbraw/zinc/14/08/55/167140855.db2.gz FXWUUSRUFHBYBN-CQSZACIVSA-N 2 2 220.360 2.157 10 0 BEAELP CC[C@H]([NH2+][C@@H]1C[N@H+](CC)C[C@H]1C)C(C)C ZINC000336773678 411181567 /nfs/dbraw/zinc/18/15/67/411181567.db2.gz ZAGDBLKGDPCSDG-FRRDWIJNSA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C)C(C)C ZINC000336773678 411181568 /nfs/dbraw/zinc/18/15/68/411181568.db2.gz ZAGDBLKGDPCSDG-FRRDWIJNSA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)CCO1 ZINC000070359364 411412087 /nfs/dbraw/zinc/41/20/87/411412087.db2.gz AEHOYXHSPUEKAT-BFHYXJOUSA-N 2 2 240.391 2.018 10 0 BEAELP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)CCO1 ZINC000070359364 411412091 /nfs/dbraw/zinc/41/20/91/411412091.db2.gz AEHOYXHSPUEKAT-BFHYXJOUSA-N 2 2 240.391 2.018 10 0 BEAELP CCC[C@H]1C[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657385594 411489113 /nfs/dbraw/zinc/48/91/13/411489113.db2.gz UPYPHWTYNSDWEY-CMPLNLGQSA-N 2 2 219.332 2.108 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000328464203 170020720 /nfs/dbraw/zinc/02/07/20/170020720.db2.gz IOZYHDUGJQHWSX-STQMWFEESA-N 2 2 208.349 2.027 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000328464203 170020721 /nfs/dbraw/zinc/02/07/21/170020721.db2.gz IOZYHDUGJQHWSX-STQMWFEESA-N 2 2 208.349 2.027 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000336895513 170020976 /nfs/dbraw/zinc/02/09/76/170020976.db2.gz MZAGRJRUZNNMFA-MCIONIFRSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000336895513 170020978 /nfs/dbraw/zinc/02/09/78/170020978.db2.gz MZAGRJRUZNNMFA-MCIONIFRSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000328221131 170021953 /nfs/dbraw/zinc/02/19/53/170021953.db2.gz YNAFHMLVFUQQTA-FQUUOJAGSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000328221131 170021954 /nfs/dbraw/zinc/02/19/54/170021954.db2.gz YNAFHMLVFUQQTA-FQUUOJAGSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)C1 ZINC000336899007 170022507 /nfs/dbraw/zinc/02/25/07/170022507.db2.gz QXDSWSUQBDEYCF-XDQVBPFNSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)C1 ZINC000336899007 170022509 /nfs/dbraw/zinc/02/25/09/170022509.db2.gz QXDSWSUQBDEYCF-XDQVBPFNSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@H]2C)C1 ZINC000336899005 170022969 /nfs/dbraw/zinc/02/29/69/170022969.db2.gz QXDSWSUQBDEYCF-RFQIPJPRSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@H]2C)C1 ZINC000336899005 170022970 /nfs/dbraw/zinc/02/29/70/170022970.db2.gz QXDSWSUQBDEYCF-RFQIPJPRSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000309419806 170029333 /nfs/dbraw/zinc/02/93/33/170029333.db2.gz AKRMCUOWZKSCLU-YPMHNXCESA-N 2 2 242.432 2.059 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000309419806 170029335 /nfs/dbraw/zinc/02/93/35/170029335.db2.gz AKRMCUOWZKSCLU-YPMHNXCESA-N 2 2 242.432 2.059 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCCCC2)C1 ZINC000309055320 170031140 /nfs/dbraw/zinc/03/11/40/170031140.db2.gz UDIUNUBOGFKDCE-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCCCC2)C1 ZINC000309055320 170031142 /nfs/dbraw/zinc/03/11/42/170031142.db2.gz UDIUNUBOGFKDCE-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C)CCCC2)C1 ZINC000336779494 170031782 /nfs/dbraw/zinc/03/17/82/170031782.db2.gz OMEJVAWPHZYCAS-CHWSQXEVSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C)CCCC2)C1 ZINC000336779494 170031783 /nfs/dbraw/zinc/03/17/83/170031783.db2.gz OMEJVAWPHZYCAS-CHWSQXEVSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2)C1 ZINC000306333733 170031827 /nfs/dbraw/zinc/03/18/27/170031827.db2.gz DWPFYBUIICESKD-TZMCWYRMSA-N 2 2 218.344 2.116 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2)C1 ZINC000306333733 170031828 /nfs/dbraw/zinc/03/18/28/170031828.db2.gz DWPFYBUIICESKD-TZMCWYRMSA-N 2 2 218.344 2.116 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCC(C)C)C1 ZINC000309040220 170032010 /nfs/dbraw/zinc/03/20/10/170032010.db2.gz KRHCOTPRDBZNCR-CHWSQXEVSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCC(C)C)C1 ZINC000309040220 170032012 /nfs/dbraw/zinc/03/20/12/170032012.db2.gz KRHCOTPRDBZNCR-CHWSQXEVSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000309959775 170038681 /nfs/dbraw/zinc/03/86/81/170038681.db2.gz KKYDHBHGWKIHKH-SGMGOOAPSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000309959775 170038682 /nfs/dbraw/zinc/03/86/82/170038682.db2.gz KKYDHBHGWKIHKH-SGMGOOAPSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000336779088 170039129 /nfs/dbraw/zinc/03/91/29/170039129.db2.gz NDVODXDNOMWVNU-GXFFZTMASA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000336779088 170039131 /nfs/dbraw/zinc/03/91/31/170039131.db2.gz NDVODXDNOMWVNU-GXFFZTMASA-N 2 2 238.400 2.486 10 0 BEAELP CC[NH2+]C1CC[NH+](CCOC2CCCC2)CC1 ZINC000104436787 170108614 /nfs/dbraw/zinc/10/86/14/170108614.db2.gz HIEVUGLMXMCALP-UHFFFAOYSA-N 2 2 240.391 2.020 10 0 BEAELP CC[NH2+]CC(C)(C)C[N@H+](C)Cc1cccnc1 ZINC000051217648 170111350 /nfs/dbraw/zinc/11/13/50/170111350.db2.gz YJKMSOLNUJPUEI-UHFFFAOYSA-N 2 2 235.375 2.149 10 0 BEAELP CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1cccnc1 ZINC000051217648 170111352 /nfs/dbraw/zinc/11/13/52/170111352.db2.gz YJKMSOLNUJPUEI-UHFFFAOYSA-N 2 2 235.375 2.149 10 0 BEAELP CC[NH2+]CCn1c[nH+]c2cc(C)c(C)cc21 ZINC000042410079 170118160 /nfs/dbraw/zinc/11/81/60/170118160.db2.gz SKSSEKGLIMLIPB-UHFFFAOYSA-N 2 2 217.316 2.263 10 0 BEAELP CC[NH2+]C[C@](C)(CC)C[N@@H+]1CCO[C@@H](CC)C1 ZINC000051217133 170123811 /nfs/dbraw/zinc/12/38/11/170123811.db2.gz RGORDFJFGKNORC-KBPBESRZSA-N 2 2 242.407 2.123 10 0 BEAELP CC[NH2+]C[C@](C)(CC)C[N@H+]1CCO[C@@H](CC)C1 ZINC000051217133 170123812 /nfs/dbraw/zinc/12/38/12/170123812.db2.gz RGORDFJFGKNORC-KBPBESRZSA-N 2 2 242.407 2.123 10 0 BEAELP CC[NH2+]Cc1cnc(-n2cc[nH+]c2)c(Cl)c1 ZINC000051489933 170130080 /nfs/dbraw/zinc/13/00/80/170130080.db2.gz JLBRQBXKBXJREE-UHFFFAOYSA-N 2 2 236.706 2.030 10 0 BEAELP CC[NH2+][C@@H]1CCC[C@@H]1[NH+]1CCCCCC1 ZINC000043812169 170150605 /nfs/dbraw/zinc/15/06/05/170150605.db2.gz OKOOQYQBGZMTOQ-OLZOCXBDSA-N 2 2 210.365 2.393 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)[C@H](C)C1 ZINC000049712261 170151216 /nfs/dbraw/zinc/15/12/16/170151216.db2.gz USPCBTCCTHASNJ-CHWSQXEVSA-N 2 2 233.359 2.044 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)[C@H](C)C1 ZINC000049712261 170151218 /nfs/dbraw/zinc/15/12/18/170151218.db2.gz USPCBTCCTHASNJ-CHWSQXEVSA-N 2 2 233.359 2.044 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+](C2(C)CCCCC2)C1 ZINC000045046008 170151817 /nfs/dbraw/zinc/15/18/17/170151817.db2.gz UBKANEHWEZUFIB-GFCCVEGCSA-N 2 2 210.365 2.393 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+](C2(C)CCCCC2)C1 ZINC000045046008 170151819 /nfs/dbraw/zinc/15/18/19/170151819.db2.gz UBKANEHWEZUFIB-GFCCVEGCSA-N 2 2 210.365 2.393 10 0 BEAELP CC[NH2+][C@H]1CCCCC[C@@H]1n1cc[nH+]c1 ZINC000043992901 170166270 /nfs/dbraw/zinc/16/62/70/170166270.db2.gz WNIQRWVHPINLPW-RYUDHWBXSA-N 2 2 207.321 2.366 10 0 BEAELP CC[NH2+][C@H]1CCC[C@H]1[NH+]1CCC(C)CC1 ZINC000043806638 170166644 /nfs/dbraw/zinc/16/66/44/170166644.db2.gz DVXOIIILVFUBOK-QWHCGFSZSA-N 2 2 210.365 2.249 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000048266202 170167628 /nfs/dbraw/zinc/16/76/28/170167628.db2.gz SSFXMLYAQCZWES-AWEZNQCLSA-N 2 2 218.344 2.179 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000048266202 170167630 /nfs/dbraw/zinc/16/76/30/170167630.db2.gz SSFXMLYAQCZWES-AWEZNQCLSA-N 2 2 218.344 2.179 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+](Cc2ccco2)[C@H](C)C1 ZINC000049708519 170168325 /nfs/dbraw/zinc/16/83/25/170168325.db2.gz KFPHSRYQWOJOGK-NEPJUHHUSA-N 2 2 222.332 2.242 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+](Cc2ccco2)[C@H](C)C1 ZINC000049708519 170168326 /nfs/dbraw/zinc/16/83/26/170168326.db2.gz KFPHSRYQWOJOGK-NEPJUHHUSA-N 2 2 222.332 2.242 10 0 BEAELP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000130187119 411578741 /nfs/dbraw/zinc/57/87/41/411578741.db2.gz JQEINCRBPNNGMV-FRRDWIJNSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@H]1CN(C(=[NH2+])c2ccccc2)CC[N@@H+]1C ZINC000104128290 171060532 /nfs/dbraw/zinc/06/05/32/171060532.db2.gz GWTBNWVIXKZLJB-CYBMUJFWSA-N 2 2 231.343 2.038 10 0 BEAELP CC[C@@H]1CN(C(=[NH2+])c2ccccc2)CC[N@H+]1C ZINC000104128290 171060534 /nfs/dbraw/zinc/06/05/34/171060534.db2.gz GWTBNWVIXKZLJB-CYBMUJFWSA-N 2 2 231.343 2.038 10 0 BEAELP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000336732103 171061195 /nfs/dbraw/zinc/06/11/95/171061195.db2.gz LCSJJMLSWAFDKQ-JHJVBQTASA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000336732103 171061197 /nfs/dbraw/zinc/06/11/97/171061197.db2.gz LCSJJMLSWAFDKQ-JHJVBQTASA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1C[N@H+](CC(C)(C)C[NH2+]C(C)C)CCO1 ZINC000051217076 171076542 /nfs/dbraw/zinc/07/65/42/171076542.db2.gz KVKKXEMRZHSDRZ-CYBMUJFWSA-N 2 2 242.407 2.121 10 0 BEAELP CC[C@@H]1C[N@@H+](CC(C)(C)C[NH2+]C(C)C)CCO1 ZINC000051217076 171076544 /nfs/dbraw/zinc/07/65/44/171076544.db2.gz KVKKXEMRZHSDRZ-CYBMUJFWSA-N 2 2 242.407 2.121 10 0 BEAELP CC[C@@H]1C[N@@H+]([C@@H]2CCCCCC[C@@H]2[NH3+])CCO1 ZINC000036769704 171093668 /nfs/dbraw/zinc/09/36/68/171093668.db2.gz LJRUIQXONVWEJV-HZSPNIEDSA-N 2 2 240.391 2.147 10 0 BEAELP CC[C@@H]1C[N@H+]([C@@H]2CCCCCC[C@@H]2[NH3+])CCO1 ZINC000036769704 171093669 /nfs/dbraw/zinc/09/36/69/171093669.db2.gz LJRUIQXONVWEJV-HZSPNIEDSA-N 2 2 240.391 2.147 10 0 BEAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC[NH2+]C(C)(C)C ZINC000042451720 171110088 /nfs/dbraw/zinc/11/00/88/171110088.db2.gz FFCYTIJVKMPRAC-QWHCGFSZSA-N 2 2 242.407 2.264 10 0 BEAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC[NH2+]C(C)(C)C ZINC000042451720 171110091 /nfs/dbraw/zinc/11/00/91/171110091.db2.gz FFCYTIJVKMPRAC-QWHCGFSZSA-N 2 2 242.407 2.264 10 0 BEAELP CC[C@@](C)(C[NH2+]C(C)C)C[N@@H+]1CCOC[C@@H]1C ZINC000051216831 171167523 /nfs/dbraw/zinc/16/75/23/171167523.db2.gz XCFWGZZTJXUKOY-KBPBESRZSA-N 2 2 242.407 2.121 10 0 BEAELP CC[C@@](C)(C[NH2+]C(C)C)C[N@H+]1CCOC[C@@H]1C ZINC000051216831 171167525 /nfs/dbraw/zinc/16/75/25/171167525.db2.gz XCFWGZZTJXUKOY-KBPBESRZSA-N 2 2 242.407 2.121 10 0 BEAELP CC[C@H](C)N(C)c1[nH+]c(C)cc(C)c1C[NH3+] ZINC000040509397 171309095 /nfs/dbraw/zinc/30/90/95/171309095.db2.gz DBISWAXVIWMMSQ-NSHDSACASA-N 2 2 221.348 2.392 10 0 BEAELP CC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000037109755 171309472 /nfs/dbraw/zinc/30/94/72/171309472.db2.gz WIUNGHBUTYJDGG-FZMZJTMJSA-N 2 2 236.359 2.425 10 0 BEAELP CC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000037109755 171309473 /nfs/dbraw/zinc/30/94/73/171309473.db2.gz WIUNGHBUTYJDGG-FZMZJTMJSA-N 2 2 236.359 2.425 10 0 BEAELP CC[C@H](C)[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2C1 ZINC000020073098 171372226 /nfs/dbraw/zinc/37/22/26/171372226.db2.gz BJIGXIJBLGDALS-WFASDCNBSA-N 2 2 232.371 2.418 10 0 BEAELP CC[C@H](C)[C@@H]([NH3+])C[N@H+]1CCc2ccccc2C1 ZINC000020073098 171372227 /nfs/dbraw/zinc/37/22/27/171372227.db2.gz BJIGXIJBLGDALS-WFASDCNBSA-N 2 2 232.371 2.418 10 0 BEAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000040502544 171390142 /nfs/dbraw/zinc/39/01/42/171390142.db2.gz OUHDEXDCASUPAF-RWMBFGLXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000040502544 171390143 /nfs/dbraw/zinc/39/01/43/171390143.db2.gz OUHDEXDCASUPAF-RWMBFGLXSA-N 2 2 212.381 2.495 10 0 BEAELP CCc1[nH+]c2ccccc2n1CCCC[NH3+] ZINC000057798903 172013263 /nfs/dbraw/zinc/01/32/63/172013263.db2.gz MZHFALVXLQIAEK-UHFFFAOYSA-N 2 2 217.316 2.338 10 0 BEAELP CCc1[nH+]c2ccccc2n1C[C@H]([NH3+])CC ZINC000057798926 172013737 /nfs/dbraw/zinc/01/37/37/172013737.db2.gz TUXWPCPHRCWQAM-SNVBAGLBSA-N 2 2 217.316 2.336 10 0 BEAELP C[NH+](C)[C@@](C)(C[NH3+])c1cccc(Cl)c1 ZINC000082642093 172531300 /nfs/dbraw/zinc/53/13/00/172531300.db2.gz PJHPUAPKEYQKSZ-NSHDSACASA-N 2 2 212.724 2.076 10 0 BEAELP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccc(F)cc1F ZINC000082327748 173040848 /nfs/dbraw/zinc/04/08/48/173040848.db2.gz VQTDMIXBJCXDCB-RNCFNFMXSA-N 2 2 240.297 2.306 10 0 BEAELP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccc(F)cc1F ZINC000082327748 173040851 /nfs/dbraw/zinc/04/08/51/173040851.db2.gz VQTDMIXBJCXDCB-RNCFNFMXSA-N 2 2 240.297 2.306 10 0 BEAELP C[NH+]1CCN(C(=[NH2+])c2cc3ccccc3o2)CC1 ZINC000062995667 173065230 /nfs/dbraw/zinc/06/52/30/173065230.db2.gz OSYYERAFRCNYAR-UHFFFAOYSA-N 2 2 243.310 2.006 10 0 BEAELP C[NH2+]C[C@@H](C)n1c(C)[nH+]c2ccccc21 ZINC000053524195 173364657 /nfs/dbraw/zinc/36/46/57/173364657.db2.gz IDHRTTYDOYXJPQ-SECBINFHSA-N 2 2 203.289 2.125 10 0 BEAELP C[NH2+]C[C@@H]1Cc2ccccc2C[N@@H+]1C(C)C ZINC000051860075 173372462 /nfs/dbraw/zinc/37/24/62/173372462.db2.gz MIKXIVNZXUSYHJ-AWEZNQCLSA-N 2 2 218.344 2.041 10 0 BEAELP C[NH2+]C[C@@H]1Cc2ccccc2C[N@H+]1C(C)C ZINC000051860075 173372464 /nfs/dbraw/zinc/37/24/64/173372464.db2.gz MIKXIVNZXUSYHJ-AWEZNQCLSA-N 2 2 218.344 2.041 10 0 BEAELP C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000042407733 173377885 /nfs/dbraw/zinc/37/78/85/173377885.db2.gz UYPYICQNEQUJBX-LLVKDONJSA-N 2 2 224.373 2.322 10 0 BEAELP C[NH2+]C[C@H]1CCCC[N@H+]1Cc1cccs1 ZINC000042407733 173377886 /nfs/dbraw/zinc/37/78/86/173377886.db2.gz UYPYICQNEQUJBX-LLVKDONJSA-N 2 2 224.373 2.322 10 0 BEAELP COCC[N@H+]([C@H](c1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000042902217 174284933 /nfs/dbraw/zinc/28/49/33/174284933.db2.gz BSEQKBFUDFFABR-WFASDCNBSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@@H+]([C@H](c1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000042902217 174284936 /nfs/dbraw/zinc/28/49/36/174284936.db2.gz BSEQKBFUDFFABR-WFASDCNBSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@H+]([C@@H](C)[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518140 174285156 /nfs/dbraw/zinc/28/51/56/174285156.db2.gz FVKNOARXDDTBTB-WFASDCNBSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@@H+]([C@@H](C)[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518140 174285157 /nfs/dbraw/zinc/28/51/57/174285157.db2.gz FVKNOARXDDTBTB-WFASDCNBSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@H+](C[C@H]([NH3+])c1ccccc1C)C1CC1 ZINC000042518167 174297573 /nfs/dbraw/zinc/29/75/73/174297573.db2.gz IYLRTCXTFGZLNU-HNNXBMFYSA-N 2 2 248.370 2.106 10 0 BEAELP COCC[N@@H+](C[C@H]([NH3+])c1ccccc1C)C1CC1 ZINC000042518167 174297575 /nfs/dbraw/zinc/29/75/75/174297575.db2.gz IYLRTCXTFGZLNU-HNNXBMFYSA-N 2 2 248.370 2.106 10 0 BEAELP COc1ccc(C)cc1[C@H](C[NH3+])[N@H+](C)CC1CC1 ZINC000077424053 175082290 /nfs/dbraw/zinc/08/22/90/175082290.db2.gz AZCMZPQPPANWAA-AWEZNQCLSA-N 2 2 248.370 2.345 10 0 BEAELP COc1ccc(C)cc1[C@H](C[NH3+])[N@@H+](C)CC1CC1 ZINC000077424053 175082291 /nfs/dbraw/zinc/08/22/91/175082291.db2.gz AZCMZPQPPANWAA-AWEZNQCLSA-N 2 2 248.370 2.345 10 0 BEAELP COc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1C ZINC000076619643 175097502 /nfs/dbraw/zinc/09/75/02/175097502.db2.gz HATFQDWCOGFFNM-UHFFFAOYSA-N 2 2 236.359 2.173 10 0 BEAELP COc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1C ZINC000076619643 175097504 /nfs/dbraw/zinc/09/75/04/175097504.db2.gz HATFQDWCOGFFNM-UHFFFAOYSA-N 2 2 236.359 2.173 10 0 BEAELP COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000234926990 175100743 /nfs/dbraw/zinc/10/07/43/175100743.db2.gz HVVBEFPZPBVKJE-TZMCWYRMSA-N 2 2 248.370 2.254 10 0 BEAELP COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000234926990 175100746 /nfs/dbraw/zinc/10/07/46/175100746.db2.gz HVVBEFPZPBVKJE-TZMCWYRMSA-N 2 2 248.370 2.254 10 0 BEAELP COc1ccc([NH2+]CC2CC[NH2+]CC2)cc1 ZINC000041234283 175151060 /nfs/dbraw/zinc/15/10/60/175151060.db2.gz ZHKWGTRPUMGMOD-UHFFFAOYSA-N 2 2 220.316 2.107 10 0 BEAELP COc1ccc([C@@H](C[NH3+])[NH+]2CCCCC2)cc1C ZINC000050596469 175178534 /nfs/dbraw/zinc/17/85/34/175178534.db2.gz FBSYJWXPUOTCPR-CQSZACIVSA-N 2 2 248.370 2.489 10 0 BEAELP COc1ccc2c(c1)CC[C@H](n1cc[nH+]c1)[C@@H]2[NH3+] ZINC000019264104 175209670 /nfs/dbraw/zinc/20/96/70/175209670.db2.gz ZXNARMDEXQMJAQ-UONOGXRCSA-N 2 2 243.310 2.079 10 0 BEAELP COc1cccc([C@@H]([C@H](C)[NH3+])[N@H+](C)C2CC2)c1 ZINC000043026203 175289676 /nfs/dbraw/zinc/28/96/76/175289676.db2.gz NXTLNWWUAFRGCE-IINYFYTJSA-N 2 2 234.343 2.178 10 0 BEAELP COc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)C2CC2)c1 ZINC000043026203 175289677 /nfs/dbraw/zinc/28/96/77/175289677.db2.gz NXTLNWWUAFRGCE-IINYFYTJSA-N 2 2 234.343 2.178 10 0 BEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)C2CC2)c1 ZINC000043026206 175290241 /nfs/dbraw/zinc/29/02/41/175290241.db2.gz NXTLNWWUAFRGCE-QMTHXVAHSA-N 2 2 234.343 2.178 10 0 BEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)C2CC2)c1 ZINC000043026206 175290242 /nfs/dbraw/zinc/29/02/42/175290242.db2.gz NXTLNWWUAFRGCE-QMTHXVAHSA-N 2 2 234.343 2.178 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@H+](C)CC2CC2)c1 ZINC000020225831 175294032 /nfs/dbraw/zinc/29/40/32/175294032.db2.gz ZUQNKRMCAAIEIO-AWEZNQCLSA-N 2 2 234.343 2.037 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000020225831 175294033 /nfs/dbraw/zinc/29/40/33/175294033.db2.gz ZUQNKRMCAAIEIO-AWEZNQCLSA-N 2 2 234.343 2.037 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@H+](C)[C@H](C)C2CC2)c1 ZINC000036783326 175294585 /nfs/dbraw/zinc/29/45/85/175294585.db2.gz QBLXGLNOIHHUEP-ABAIWWIYSA-N 2 2 248.370 2.425 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)[C@H](C)C2CC2)c1 ZINC000036783326 175294586 /nfs/dbraw/zinc/29/45/86/175294586.db2.gz QBLXGLNOIHHUEP-ABAIWWIYSA-N 2 2 248.370 2.425 10 0 BEAELP COc1cccc([C@H]([C@H](C)[NH3+])[N@H+](C)CC2CC2)c1 ZINC000043027314 175295867 /nfs/dbraw/zinc/29/58/67/175295867.db2.gz UGBKHBWSXSVVPJ-NHYWBVRUSA-N 2 2 248.370 2.425 10 0 BEAELP COc1cccc([C@H]([C@H](C)[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000043027314 175295868 /nfs/dbraw/zinc/29/58/68/175295868.db2.gz 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C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2cccs2)C1 ZINC000042278831 176180872 /nfs/dbraw/zinc/18/08/72/176180872.db2.gz YZGBRMQWPMUJNZ-ZJUUUORDSA-N 2 2 210.346 2.090 10 0 BEAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2cccs2)C1 ZINC000042278831 176180873 /nfs/dbraw/zinc/18/08/73/176180873.db2.gz YZGBRMQWPMUJNZ-ZJUUUORDSA-N 2 2 210.346 2.090 10 0 BEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000358091782 176277829 /nfs/dbraw/zinc/27/78/29/176277829.db2.gz VWIROWHZCDCPTK-MRVWCRGKSA-N 2 2 246.354 2.050 10 0 BEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000358091782 176277830 /nfs/dbraw/zinc/27/78/30/176277830.db2.gz VWIROWHZCDCPTK-MRVWCRGKSA-N 2 2 246.354 2.050 10 0 BEAELP C[C@@H]1C[N@H+](Cc2ccccc2F)CCC[NH2+]1 ZINC000062611088 176307965 /nfs/dbraw/zinc/30/79/65/176307965.db2.gz IROVDISDGCWKKU-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1C[N@@H+](Cc2ccccc2F)CCC[NH2+]1 ZINC000062611088 176307966 /nfs/dbraw/zinc/30/79/66/176307966.db2.gz IROVDISDGCWKKU-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1COCC[N@@H+]1C1(C[NH3+])CCCCCCC1 ZINC000035774937 176335771 /nfs/dbraw/zinc/33/57/71/176335771.db2.gz WBYAJKNKJKPFCE-CYBMUJFWSA-N 2 2 240.391 2.149 10 0 BEAELP C[C@@H]1COCC[N@H+]1C1(C[NH3+])CCCCCCC1 ZINC000035774937 176335773 /nfs/dbraw/zinc/33/57/73/176335773.db2.gz WBYAJKNKJKPFCE-CYBMUJFWSA-N 2 2 240.391 2.149 10 0 BEAELP C[C@H](c1cccs1)[N@H+](C)C[C@@H]1CCC[NH2+]1 ZINC000049717087 177049399 /nfs/dbraw/zinc/04/93/99/177049399.db2.gz OCDCTKMOISDFDX-MNOVXSKESA-N 2 2 224.373 2.493 10 0 BEAELP C[C@H](c1cccs1)[N@@H+](C)C[C@@H]1CCC[NH2+]1 ZINC000049717087 177049400 /nfs/dbraw/zinc/04/94/00/177049400.db2.gz OCDCTKMOISDFDX-MNOVXSKESA-N 2 2 224.373 2.493 10 0 BEAELP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C)C[N@@H+]1C ZINC000089927766 177089583 /nfs/dbraw/zinc/08/95/83/177089583.db2.gz CVSGAHKFSQPRPO-WUHRBBMRSA-N 2 2 210.365 2.247 10 0 BEAELP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C)C[N@H+]1C ZINC000089927766 177089584 /nfs/dbraw/zinc/08/95/84/177089584.db2.gz CVSGAHKFSQPRPO-WUHRBBMRSA-N 2 2 210.365 2.247 10 0 BEAELP C[C@H]1CCC[N@H+](CC2([NH3+])CCCCC2)C1 ZINC000020071960 177096646 /nfs/dbraw/zinc/09/66/46/177096646.db2.gz SVXMRRIHRIRPGX-LBPRGKRZSA-N 2 2 210.365 2.380 10 0 BEAELP C[C@H]1CCC[N@@H+](CC2([NH3+])CCCCC2)C1 ZINC000020071960 177096648 /nfs/dbraw/zinc/09/66/48/177096648.db2.gz SVXMRRIHRIRPGX-LBPRGKRZSA-N 2 2 210.365 2.380 10 0 BEAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1[C@@H](C[NH3+])c1ccccn1 ZINC000050563371 177103410 /nfs/dbraw/zinc/10/34/10/177103410.db2.gz RQQXXCADADSYNI-SCRDCRAPSA-N 2 2 233.359 2.202 10 0 BEAELP C[C@@H]1[C@@H](C)CCC[N@H+]1[C@@H](C[NH3+])c1ccccn1 ZINC000050563371 177103411 /nfs/dbraw/zinc/10/34/11/177103411.db2.gz RQQXXCADADSYNI-SCRDCRAPSA-N 2 2 233.359 2.202 10 0 BEAELP C[C@H]1CCC[C@H]([NH2+][C@@H]2C[NH+]3CCC2CC3)C1 ZINC000019946243 177138458 /nfs/dbraw/zinc/13/84/58/177138458.db2.gz QKXDVYJIQBTSKB-FPMFFAJLSA-N 2 2 222.376 2.249 10 0 BEAELP C[C@H]1C[N@H+](Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062611096 177263619 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C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C[N@H+]1C ZINC000089927290 177333628 /nfs/dbraw/zinc/33/36/28/177333628.db2.gz IAVFJLYQOSGXDO-YVECIDJPSA-N 2 2 210.365 2.247 10 0 BEAELP C[C@H]1C[C@H]1C[N@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000104428410 177379534 /nfs/dbraw/zinc/37/95/34/177379534.db2.gz XLUXKQHBEPTBAB-MJVIPROJSA-N 2 2 236.334 2.413 10 0 BEAELP C[C@H]1C[C@H]1C[N@@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000104428410 177379535 /nfs/dbraw/zinc/37/95/35/177379535.db2.gz XLUXKQHBEPTBAB-MJVIPROJSA-N 2 2 236.334 2.413 10 0 BEAELP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)o1 ZINC000400619275 226348064 /nfs/dbraw/zinc/34/80/64/226348064.db2.gz JEAMNIWRQNKVPL-GRYCIOLGSA-N 2 2 222.332 2.379 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cccs2)C1 ZINC000328367621 487670579 /nfs/dbraw/zinc/67/05/79/487670579.db2.gz RIIGIGGMUQYKGQ-RYUDHWBXSA-N 2 2 238.400 2.363 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cccs2)C1 ZINC000328367621 487670581 /nfs/dbraw/zinc/67/05/81/487670581.db2.gz RIIGIGGMUQYKGQ-RYUDHWBXSA-N 2 2 238.400 2.363 10 0 BEAELP C[C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@@H]1[NH3+] ZINC000235394819 487948469 /nfs/dbraw/zinc/94/84/69/487948469.db2.gz AAAOWOQWINYTIO-ABAIWWIYSA-N 2 2 230.355 2.343 10 0 BEAELP C[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1[NH3+] ZINC000235394819 487948472 /nfs/dbraw/zinc/94/84/72/487948472.db2.gz AAAOWOQWINYTIO-ABAIWWIYSA-N 2 2 230.355 2.343 10 0 BEAELP C[C@H]1C[C@@]2(CC[N@@H+]1C)[NH2+]CCc1sccc12 ZINC000397268322 583099701 /nfs/dbraw/zinc/09/97/01/583099701.db2.gz CFHKSBXMPGRABL-GXFFZTMASA-N 2 2 236.384 2.203 10 0 BEAELP C[C@H]1C[C@@]2(CC[N@H+]1C)[NH2+]CCc1sccc12 ZINC000397268322 583099704 /nfs/dbraw/zinc/09/97/04/583099704.db2.gz CFHKSBXMPGRABL-GXFFZTMASA-N 2 2 236.384 2.203 10 0 BEAELP C[NH+]1CCC2(CC1)[NH2+][C@@H](c1ccccc1)CCO2 ZINC000757139015 582519320 /nfs/dbraw/zinc/51/93/20/582519320.db2.gz CRZSFNGUJQIPRS-CQSZACIVSA-N 2 2 246.354 2.160 10 0 BEAELP C[C@H]1[NH2+]CCC[C@@H]1[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000396624444 583086587 /nfs/dbraw/zinc/08/65/87/583086587.db2.gz DJUHUNRCNKYWRJ-NEPJUHHUSA-N 2 2 240.391 2.016 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396662732 583087829 /nfs/dbraw/zinc/08/78/29/583087829.db2.gz HJADJLLIWJBNFI-YVECIDJPSA-N 2 2 210.365 2.105 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396662732 583087831 /nfs/dbraw/zinc/08/78/31/583087831.db2.gz HJADJLLIWJBNFI-YVECIDJPSA-N 2 2 210.365 2.105 10 0 BEAELP C[C@H]1[NH2+]CCC[C@H]1[N@H+](C)C1CCCCC1 ZINC000396721488 583089604 /nfs/dbraw/zinc/08/96/04/583089604.db2.gz UDVHILGGRQWVIK-DGCLKSJQSA-N 2 2 210.365 2.391 10 0 BEAELP C[C@H]1[NH2+]CCC[C@H]1[N@@H+](C)C1CCCCC1 ZINC000396721488 583089606 /nfs/dbraw/zinc/08/96/06/583089606.db2.gz UDVHILGGRQWVIK-DGCLKSJQSA-N 2 2 210.365 2.391 10 0 BEAELP CC1(c2ccc([C@@H]3[NH2+]CCC[C@@H]3[NH3+])cc2)CC1 ZINC000757208380 586437898 /nfs/dbraw/zinc/43/78/98/586437898.db2.gz CLSXFGSEKGYGBD-KBPBESRZSA-N 2 2 230.355 2.490 10 0 BEAELP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c(C)o1 ZINC000119233225 589252240 /nfs/dbraw/zinc/25/22/40/589252240.db2.gz BANBFKWMQVXGNK-ZDUSSCGKSA-N 2 2 222.332 2.080 10 0 BEAELP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(C)o1 ZINC000119233225 589252241 /nfs/dbraw/zinc/25/22/41/589252241.db2.gz BANBFKWMQVXGNK-ZDUSSCGKSA-N 2 2 222.332 2.080 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/Cl)[C@H](C)C1 ZINC000135249286 591999608 /nfs/dbraw/zinc/99/96/08/591999608.db2.gz XZFBJBAKORTTNV-BAEOLTKYSA-N 2 2 230.783 2.401 10 0 BEAELP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/Cl)[C@H](C)C1 ZINC000135249286 591999610 /nfs/dbraw/zinc/99/96/10/591999610.db2.gz XZFBJBAKORTTNV-BAEOLTKYSA-N 2 2 230.783 2.401 10 0 BEAELP CC[NH+]1CC[C@H]([N@H+](C)C/C=C/Cl)[C@H](C)C1 ZINC000135249286 591999612 /nfs/dbraw/zinc/99/96/12/591999612.db2.gz XZFBJBAKORTTNV-BAEOLTKYSA-N 2 2 230.783 2.401 10 0 BEAELP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/Cl)[C@H](C)C1 ZINC000135249286 591999614 /nfs/dbraw/zinc/99/96/14/591999614.db2.gz XZFBJBAKORTTNV-BAEOLTKYSA-N 2 2 230.783 2.401 10 0 BEAELP CC(C)[N@H+](C)CC[NH2+]CCc1ccccc1 ZINC000054110747 635388678 /nfs/dbraw/zinc/38/86/78/635388678.db2.gz DKEPUSWGLPPPNX-UHFFFAOYSA-N 2 2 220.360 2.159 10 0 BEAELP CC(C)[N@@H+](C)CC[NH2+]CCc1ccccc1 ZINC000054110747 635388684 /nfs/dbraw/zinc/38/86/84/635388684.db2.gz DKEPUSWGLPPPNX-UHFFFAOYSA-N 2 2 220.360 2.159 10 0 BEAELP C[C@@H]1C[N@H+](Cc2cncc3ccccc32)C[C@@H]1[NH3+] ZINC000235396471 632698159 /nfs/dbraw/zinc/69/81/59/632698159.db2.gz KUDYTMZWJFJCEJ-ABAIWWIYSA-N 2 2 241.338 2.014 10 0 BEAELP C[C@@H]1C[N@@H+](Cc2cncc3ccccc32)C[C@@H]1[NH3+] ZINC000235396471 632698160 /nfs/dbraw/zinc/69/81/60/632698160.db2.gz KUDYTMZWJFJCEJ-ABAIWWIYSA-N 2 2 241.338 2.014 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)C)C1 ZINC000309903116 633921560 /nfs/dbraw/zinc/92/15/60/633921560.db2.gz ITQGUYMAASVVEV-REWJHTLYSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)C)C1 ZINC000309903116 633921563 /nfs/dbraw/zinc/92/15/63/633921563.db2.gz ITQGUYMAASVVEV-REWJHTLYSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000309921434 633942951 /nfs/dbraw/zinc/94/29/51/633942951.db2.gz SHGVIMVKEZIRAI-SCUASFONSA-N 2 2 222.376 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000309921434 633942957 /nfs/dbraw/zinc/94/29/57/633942957.db2.gz SHGVIMVKEZIRAI-SCUASFONSA-N 2 2 222.376 2.105 10 0 BEAELP C[C@@H]1C[C@H]([NH2+][C@H]2COc3ccccc32)CC[N@@H+]1C ZINC000252136126 636765385 /nfs/dbraw/zinc/76/53/85/636765385.db2.gz MORVBRDGKFHSKX-BZPMIXESSA-N 2 2 246.354 2.192 10 0 BEAELP C[C@@H]1C[C@H]([NH2+][C@H]2COc3ccccc32)CC[N@H+]1C ZINC000252136126 636765395 /nfs/dbraw/zinc/76/53/95/636765395.db2.gz MORVBRDGKFHSKX-BZPMIXESSA-N 2 2 246.354 2.192 10 0 BEAELP CC1CC[NH+](CCC[NH2+]Cc2ccoc2)CC1 ZINC000062103453 641019689 /nfs/dbraw/zinc/01/96/89/641019689.db2.gz BFBYAGHBNORJBF-UHFFFAOYSA-N 2 2 236.359 2.491 10 0 BEAELP c1cn(CCCC[NH2+]Cc2ccoc2)c[nH+]1 ZINC000062103714 641021649 /nfs/dbraw/zinc/02/16/49/641021649.db2.gz LZYCTENXOLZDDT-UHFFFAOYSA-N 2 2 219.288 2.046 10 0 BEAELP CCC[NH2+]Cc1nc(C[N@H+](C)C(C)C)cs1 ZINC000052419454 644536719 /nfs/dbraw/zinc/53/67/19/644536719.db2.gz AWIBIPXNEAAZAA-UHFFFAOYSA-N 2 2 241.404 2.483 10 0 BEAELP CCC[NH2+]Cc1nc(C[N@@H+](C)C(C)C)cs1 ZINC000052419454 644536729 /nfs/dbraw/zinc/53/67/29/644536729.db2.gz AWIBIPXNEAAZAA-UHFFFAOYSA-N 2 2 241.404 2.483 10 0 BEAELP [NH3+]C[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000132069902 645852174 /nfs/dbraw/zinc/85/21/74/645852174.db2.gz OZRSYLXVWUBSHC-GFCCVEGCSA-N 2 2 241.338 2.410 10 0 BEAELP Cc1[nH]c(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c(C)[nH+]1 ZINC000724775507 711613076 /nfs/dbraw/zinc/61/30/76/711613076.db2.gz STDZWSZKJFOEOU-QJPTWQEYSA-N 2 2 219.332 2.305 10 0 BEAELP C[N@H+](CCC[NH2+]C1CC1)Cc1ccsc1 ZINC000037478596 711466890 /nfs/dbraw/zinc/46/68/90/711466890.db2.gz AOIDSBUOYZNUAF-UHFFFAOYSA-N 2 2 224.373 2.322 10 0 BEAELP C[N@@H+](CCC[NH2+]C1CC1)Cc1ccsc1 ZINC000037478596 711466891 /nfs/dbraw/zinc/46/68/91/711466891.db2.gz AOIDSBUOYZNUAF-UHFFFAOYSA-N 2 2 224.373 2.322 10 0 BEAELP CC(C)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717155509 712638143 /nfs/dbraw/zinc/63/81/43/712638143.db2.gz OJZWZKNUIRENTM-GUBZILKMSA-N 2 2 238.297 2.242 10 0 BEAELP CC(C)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717155509 712638144 /nfs/dbraw/zinc/63/81/44/712638144.db2.gz OJZWZKNUIRENTM-GUBZILKMSA-N 2 2 238.297 2.242 10 0 BEAELP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)c(C)s1 ZINC000335913204 178004298 /nfs/dbraw/zinc/00/42/98/178004298.db2.gz UXJHFHVAOUKHIS-SKDRFNHKSA-N 2 2 224.373 2.286 10 0 BEAELP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)c(C)s1 ZINC000335913204 178004299 /nfs/dbraw/zinc/00/42/99/178004299.db2.gz UXJHFHVAOUKHIS-SKDRFNHKSA-N 2 2 224.373 2.286 10 0 BEAELP CCC[C@@H](C[NH2+][C@H](CC(C)C)C[NH+](C)C)OC ZINC000386168151 398199436 /nfs/dbraw/zinc/19/94/36/398199436.db2.gz WARVGZQIOCBUEO-KGLIPLIRSA-N 2 2 244.423 2.367 10 0 BEAELP Cc1cc([NH3+])ccc1N[C@@H]1CCC[N@@H+](C)C1 ZINC000040715752 178106415 /nfs/dbraw/zinc/10/64/15/178106415.db2.gz ATOGJYHWTNXAAA-GFCCVEGCSA-N 2 2 219.332 2.083 10 0 BEAELP Cc1cc([NH3+])ccc1N[C@@H]1CCC[N@H+](C)C1 ZINC000040715752 178106417 /nfs/dbraw/zinc/10/64/17/178106417.db2.gz ATOGJYHWTNXAAA-GFCCVEGCSA-N 2 2 219.332 2.083 10 0 BEAELP CCC[C@H](C)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336750783 398202012 /nfs/dbraw/zinc/20/20/12/398202012.db2.gz ZUJSOYFZAVYTEP-QWRGUYRKSA-N 2 2 221.348 2.293 10 0 BEAELP CCC[C@H](C)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336750783 398202015 /nfs/dbraw/zinc/20/20/15/398202015.db2.gz ZUJSOYFZAVYTEP-QWRGUYRKSA-N 2 2 221.348 2.293 10 0 BEAELP Cc1cc(N[C@H]2CCC[NH2+][C@H]2C)nc(C(C)C)[nH+]1 ZINC000229606594 178189325 /nfs/dbraw/zinc/18/93/25/178189325.db2.gz MTCGMIWEMAINSG-RYUDHWBXSA-N 2 2 248.374 2.461 10 0 BEAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)C2CC2)c(C)s1 ZINC000049687289 178235381 /nfs/dbraw/zinc/23/53/81/178235381.db2.gz DMWRESWPYPRFLM-GFCCVEGCSA-N 2 2 224.373 2.459 10 0 BEAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)C2CC2)c(C)s1 ZINC000049687289 178235382 /nfs/dbraw/zinc/23/53/82/178235382.db2.gz DMWRESWPYPRFLM-GFCCVEGCSA-N 2 2 224.373 2.459 10 0 BEAELP Cc1cc([C@@H](C[NH3+])[N@@H+]2CC[C@H](C)C2)ccc1F ZINC000050546171 178235476 /nfs/dbraw/zinc/23/54/76/178235476.db2.gz QBFSNXJOCXZSFX-IINYFYTJSA-N 2 2 236.334 2.476 10 0 BEAELP Cc1cc([C@@H](C[NH3+])[N@H+]2CC[C@H](C)C2)ccc1F ZINC000050546171 178235478 /nfs/dbraw/zinc/23/54/78/178235478.db2.gz QBFSNXJOCXZSFX-IINYFYTJSA-N 2 2 236.334 2.476 10 0 BEAELP Cc1cc([C@H](C[NH3+])[NH+]2CCCC2)ccc1F ZINC000050545800 178260645 /nfs/dbraw/zinc/26/06/45/178260645.db2.gz PUGIYIVPUYKSIT-ZDUSSCGKSA-N 2 2 222.307 2.230 10 0 BEAELP CCC(CC)C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336756193 168363375 /nfs/dbraw/zinc/36/33/75/168363375.db2.gz IPMVIYZOEHFVLJ-WCQYABFASA-N 2 2 212.381 2.352 10 0 BEAELP CCC(CC)C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336756193 168363377 /nfs/dbraw/zinc/36/33/77/168363377.db2.gz IPMVIYZOEHFVLJ-WCQYABFASA-N 2 2 212.381 2.352 10 0 BEAELP C[NH2+][C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381769525 398271665 /nfs/dbraw/zinc/27/16/65/398271665.db2.gz YEWGKMSTPHZLEB-MNOVXSKESA-N 2 2 232.318 2.106 10 0 BEAELP C[NH2+][C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381769525 398271666 /nfs/dbraw/zinc/27/16/66/398271666.db2.gz YEWGKMSTPHZLEB-MNOVXSKESA-N 2 2 232.318 2.106 10 0 BEAELP Nc1cc(C[NH+]2CCCCC2)cc2[nH+]c[nH]c21 ZINC000004343982 342746901 /nfs/dbraw/zinc/74/69/01/342746901.db2.gz SEKARZMERHWIHZ-UHFFFAOYSA-N 2 2 230.315 2.131 10 0 BEAELP Nc1cc(C[NH+]2CCCCC2)cc2[nH]c[nH+]c21 ZINC000004343982 342746902 /nfs/dbraw/zinc/74/69/02/342746902.db2.gz SEKARZMERHWIHZ-UHFFFAOYSA-N 2 2 230.315 2.131 10 0 BEAELP CCC(CC)[C@@H](C[NH3+])[N@H+](C)Cc1ccncc1 ZINC000036775618 168399678 /nfs/dbraw/zinc/39/96/78/168399678.db2.gz MSOFGRLEBUJMGX-CQSZACIVSA-N 2 2 235.375 2.277 10 0 BEAELP CCC(CC)[C@@H](C[NH3+])[N@@H+](C)Cc1ccncc1 ZINC000036775618 168399680 /nfs/dbraw/zinc/39/96/80/168399680.db2.gz MSOFGRLEBUJMGX-CQSZACIVSA-N 2 2 235.375 2.277 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000381653822 539005682 /nfs/dbraw/zinc/00/56/82/539005682.db2.gz DSKKRPIVPSKRDM-HSOILSAZSA-N 2 2 232.318 2.104 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000381653822 539005684 /nfs/dbraw/zinc/00/56/84/539005684.db2.gz DSKKRPIVPSKRDM-HSOILSAZSA-N 2 2 232.318 2.104 10 0 BEAELP CCOc1ccc([C@H](C[NH3+])[NH+](CC)CC)cc1 ZINC000038809133 342878383 /nfs/dbraw/zinc/87/83/83/342878383.db2.gz QBQSTCHOUOHXHS-AWEZNQCLSA-N 2 2 236.359 2.427 10 0 BEAELP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000134844409 342901109 /nfs/dbraw/zinc/90/11/09/342901109.db2.gz YGQYWGSFXQSUSW-RDBSUJKOSA-N 2 2 224.392 2.497 10 0 BEAELP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000134844409 342901110 /nfs/dbraw/zinc/90/11/10/342901110.db2.gz YGQYWGSFXQSUSW-RDBSUJKOSA-N 2 2 224.392 2.497 10 0 BEAELP CC[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037166981 342923354 /nfs/dbraw/zinc/92/33/54/342923354.db2.gz SKBSNWBPKVXLIG-NEPJUHHUSA-N 2 2 200.370 2.351 10 0 BEAELP [NH3+][C@@H](CC[NH+]1CCCC1)c1cccs1 ZINC000020274138 342979693 /nfs/dbraw/zinc/97/96/93/342979693.db2.gz PAHGGBYURHMNDK-JTQLQIEISA-N 2 2 210.346 2.234 10 0 BEAELP CC(C)(C[NH3+])[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000036826755 187249217 /nfs/dbraw/zinc/24/92/17/187249217.db2.gz SFUVXJREDAMPLJ-NEPJUHHUSA-N 2 2 210.365 2.378 10 0 BEAELP CC(C)(C[NH3+])[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000036826755 187249219 /nfs/dbraw/zinc/24/92/19/187249219.db2.gz SFUVXJREDAMPLJ-NEPJUHHUSA-N 2 2 210.365 2.378 10 0 BEAELP CC[NH+](CC)c1ccc(CC[NH3+])cc1C ZINC000036203701 187249983 /nfs/dbraw/zinc/24/99/83/187249983.db2.gz FHXZTLIXZNHLIE-UHFFFAOYSA-N 2 2 206.333 2.342 10 0 BEAELP CC(C)(C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000060251013 343297334 /nfs/dbraw/zinc/29/73/34/343297334.db2.gz SCGKWJPDOYLEMK-UHFFFAOYSA-N 2 2 207.321 2.388 10 0 BEAELP C[N@H+](CC1CC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000037925466 187253679 /nfs/dbraw/zinc/25/36/79/187253679.db2.gz BLBRCVVIXPNEMW-QWHCGFSZSA-N 2 2 210.365 2.378 10 0 BEAELP C[N@@H+](CC1CC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000037925466 187253680 /nfs/dbraw/zinc/25/36/80/187253680.db2.gz BLBRCVVIXPNEMW-QWHCGFSZSA-N 2 2 210.365 2.378 10 0 BEAELP C([N@@H+]1CCC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC000036946315 187259144 /nfs/dbraw/zinc/25/91/44/187259144.db2.gz ODRGMBPEKPJJMU-UHFFFAOYSA-N 2 2 248.414 2.498 10 0 BEAELP C([N@H+]1CCC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC000036946315 187259146 /nfs/dbraw/zinc/25/91/46/187259146.db2.gz ODRGMBPEKPJJMU-UHFFFAOYSA-N 2 2 248.414 2.498 10 0 BEAELP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042544784 343443288 /nfs/dbraw/zinc/44/32/88/343443288.db2.gz YTZGWYJAGBGQIG-JHJVBQTASA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042544784 343443290 /nfs/dbraw/zinc/44/32/90/343443290.db2.gz YTZGWYJAGBGQIG-JHJVBQTASA-N 2 2 212.381 2.495 10 0 BEAELP C[C@H]([NH3+])[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000043114963 343463686 /nfs/dbraw/zinc/46/36/86/343463686.db2.gz MKAZJKMXJKZHBH-ONGXEEELSA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000309486829 343603993 /nfs/dbraw/zinc/60/39/93/343603993.db2.gz VRERNZUKHKXKNA-STQMWFEESA-N 2 2 222.376 2.393 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000309486829 343603994 /nfs/dbraw/zinc/60/39/94/343603994.db2.gz VRERNZUKHKXKNA-STQMWFEESA-N 2 2 222.376 2.393 10 0 BEAELP Cc1[nH+]cc([C@H]2[NH2+]CCc3ccsc32)n1C ZINC000712523676 537789467 /nfs/dbraw/zinc/78/94/67/537789467.db2.gz PMJNMOWSTFJBBW-LLVKDONJSA-N 2 2 233.340 2.025 10 0 BEAELP C[C@H]1C[NH2+]C[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000401832739 343735580 /nfs/dbraw/zinc/73/55/80/343735580.db2.gz JLZZTIWHHRYUPG-TZMCWYRMSA-N 2 2 218.344 2.116 10 0 BEAELP C[C@H]1C[NH2+]C[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000401832739 343735582 /nfs/dbraw/zinc/73/55/82/343735582.db2.gz JLZZTIWHHRYUPG-TZMCWYRMSA-N 2 2 218.344 2.116 10 0 BEAELP CC(C)(C)[C@H](C[NH3+])[NH+]1Cc2ccccc2C1 ZINC000084535091 187285283 /nfs/dbraw/zinc/28/52/83/187285283.db2.gz VMAKDCNKXDGGGO-ZDUSSCGKSA-N 2 2 218.344 2.376 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCSC(C)(C)C1 ZINC000133340435 344315689 /nfs/dbraw/zinc/31/56/89/344315689.db2.gz FSKZPDRTIOMZIM-LLVKDONJSA-N 2 2 230.421 2.187 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@H+]1CCSC(C)(C)C1 ZINC000133340435 344315691 /nfs/dbraw/zinc/31/56/91/344315691.db2.gz FSKZPDRTIOMZIM-LLVKDONJSA-N 2 2 230.421 2.187 10 0 BEAELP CC(C)[C@H](C)[N@H+](C)C1(C[NH3+])CCSCC1 ZINC000042335076 187291400 /nfs/dbraw/zinc/29/14/00/187291400.db2.gz WNEPBYUYTPKEJJ-NSHDSACASA-N 2 2 230.421 2.187 10 0 BEAELP CC(C)[C@H](C)[N@@H+](C)C1(C[NH3+])CCSCC1 ZINC000042335076 187291402 /nfs/dbraw/zinc/29/14/02/187291402.db2.gz WNEPBYUYTPKEJJ-NSHDSACASA-N 2 2 230.421 2.187 10 0 BEAELP C[C@@H]1c2ccsc2CC[N@H+]1CC(C)(C)[NH3+] ZINC000042781809 344466409 /nfs/dbraw/zinc/46/64/09/344466409.db2.gz DBMSCGBWYUAEPM-SECBINFHSA-N 2 2 224.373 2.405 10 0 BEAELP C[C@@H]1c2ccsc2CC[N@@H+]1CC(C)(C)[NH3+] ZINC000042781809 344466413 /nfs/dbraw/zinc/46/64/13/344466413.db2.gz DBMSCGBWYUAEPM-SECBINFHSA-N 2 2 224.373 2.405 10 0 BEAELP [NH3+]Cc1ccccc1Oc1cc[nH+]cc1 ZINC000043558593 187293196 /nfs/dbraw/zinc/29/31/96/187293196.db2.gz JCWBHVFYLDPVCD-UHFFFAOYSA-N 2 2 200.241 2.333 10 0 BEAELP C[NH+](C)CC[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000715208984 537868030 /nfs/dbraw/zinc/86/80/30/537868030.db2.gz RBCIBWUOSNVAIA-GFCCVEGCSA-N 2 2 224.373 2.061 10 0 BEAELP C([C@H]1CCC2(CCCC2)C[NH2+]1)[NH+]1CCCC1 ZINC000667582270 537884349 /nfs/dbraw/zinc/88/43/49/537884349.db2.gz PMZDUQHXEQLVID-CYBMUJFWSA-N 2 2 222.376 2.395 10 0 BEAELP C[C@H](CC[NH3+])Nc1ccc2ccccc2[nH+]1 ZINC000134273370 345406801 /nfs/dbraw/zinc/40/68/01/345406801.db2.gz DOKVKMWJRKWKBK-SNVBAGLBSA-N 2 2 215.300 2.384 10 0 BEAELP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000134882729 345424530 /nfs/dbraw/zinc/42/45/30/345424530.db2.gz LHHNIGNUTDOLGM-MQYQWHSLSA-N 2 2 224.392 2.495 10 0 BEAELP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000134882729 345424532 /nfs/dbraw/zinc/42/45/32/345424532.db2.gz LHHNIGNUTDOLGM-MQYQWHSLSA-N 2 2 224.392 2.495 10 0 BEAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)c(F)c1 ZINC000074001604 537911891 /nfs/dbraw/zinc/91/18/91/537911891.db2.gz KDJJDGQYCDVRRQ-BXKDBHETSA-N 2 2 226.270 2.059 10 0 BEAELP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)c(F)c1 ZINC000074001604 537911895 /nfs/dbraw/zinc/91/18/95/537911895.db2.gz KDJJDGQYCDVRRQ-BXKDBHETSA-N 2 2 226.270 2.059 10 0 BEAELP c1cn(-c2cccc(-n3cc[nH+]c3)c2)c[nH+]1 ZINC000034484985 345835137 /nfs/dbraw/zinc/83/51/37/345835137.db2.gz GDWGYEKGZJOUHE-UHFFFAOYSA-N 2 2 210.240 2.058 10 0 BEAELP Cc1cccc(CC[NH2+][C@@H]2C[NH+]3CCC2CC3)c1 ZINC000051669079 179060212 /nfs/dbraw/zinc/06/02/12/179060212.db2.gz CAFQTTNWJHXKFL-MRXNPFEDSA-N 2 2 244.382 2.221 10 0 BEAELP Cc1[nH]c(C[NH2+]Cc2cccc(C)c2)c[nH+]1 ZINC000054798428 179094430 /nfs/dbraw/zinc/09/44/30/179094430.db2.gz RFPILEYIECDJNV-UHFFFAOYSA-N 2 2 215.300 2.316 10 0 BEAELP COCCC[C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000178681289 346707820 /nfs/dbraw/zinc/70/78/20/346707820.db2.gz FBARFKMJNCKNTR-UONOGXRCSA-N 2 2 244.423 2.367 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H]2C)c1 ZINC000037910421 179184881 /nfs/dbraw/zinc/18/48/81/179184881.db2.gz AXVDIQUVRUZWFX-GXTWGEPZSA-N 2 2 218.344 2.479 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H]2C)c1 ZINC000037910421 179184883 /nfs/dbraw/zinc/18/48/83/179184883.db2.gz AXVDIQUVRUZWFX-GXTWGEPZSA-N 2 2 218.344 2.479 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@H+]2CCC[C@@H]2C)c1 ZINC000037910422 179198296 /nfs/dbraw/zinc/19/82/96/179198296.db2.gz AXVDIQUVRUZWFX-JSGCOSHPSA-N 2 2 218.344 2.479 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H]2C)c1 ZINC000037910422 179198298 /nfs/dbraw/zinc/19/82/98/179198298.db2.gz AXVDIQUVRUZWFX-JSGCOSHPSA-N 2 2 218.344 2.479 10 0 BEAELP Cc1ccccc1CCC[NH2+]CC[NH+](C)C ZINC000041234439 179261304 /nfs/dbraw/zinc/26/13/04/179261304.db2.gz XZDFSNHZCNMSQX-UHFFFAOYSA-N 2 2 220.360 2.079 10 0 BEAELP Cc1cccnc1C[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000071340135 179383226 /nfs/dbraw/zinc/38/32/26/179383226.db2.gz ASKVRENCCULRHP-CQSZACIVSA-N 2 2 247.386 2.354 10 0 BEAELP Cc1cccnc1C[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000071340135 179383227 /nfs/dbraw/zinc/38/32/27/179383227.db2.gz ASKVRENCCULRHP-CQSZACIVSA-N 2 2 247.386 2.354 10 0 BEAELP C[C@H]([NH3+])[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000162195826 362899350 /nfs/dbraw/zinc/89/93/50/362899350.db2.gz DQHUKOJCUHJLQD-WCQYABFASA-N 2 2 241.338 2.408 10 0 BEAELP CCC(C)(C)[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 ZINC000616575791 349094446 /nfs/dbraw/zinc/09/44/46/349094446.db2.gz DJFPMSSUBPPWSU-LBPRGKRZSA-N 2 2 222.376 2.391 10 0 BEAELP CC[C@@H](C)c1[nH+]c2c(n1C)[C@@H]([NH3+])CCC2 ZINC000725253376 538037513 /nfs/dbraw/zinc/03/75/13/538037513.db2.gz JRVUMDZGUVFQLS-BDAKNGLRSA-N 2 2 207.321 2.270 10 0 BEAELP Cn1c(C(C)(C)C)[nH+]c2c1[C@@H]([NH3+])CCC2 ZINC000725253509 538037658 /nfs/dbraw/zinc/03/76/58/538037658.db2.gz OPKCWYXSBFKLBI-QMMMGPOBSA-N 2 2 207.321 2.054 10 0 BEAELP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000388620857 349275921 /nfs/dbraw/zinc/27/59/21/349275921.db2.gz HCWNRHXJBMQZQL-UPJWGTAASA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000388620857 349275924 /nfs/dbraw/zinc/27/59/24/349275924.db2.gz HCWNRHXJBMQZQL-UPJWGTAASA-N 2 2 210.365 2.249 10 0 BEAELP Cc1nc(NCC2CC[NH2+]CC2)cc(C(C)C)[nH+]1 ZINC000045954797 180017889 /nfs/dbraw/zinc/01/78/89/180017889.db2.gz XRCMJGKSSDVLBG-UHFFFAOYSA-N 2 2 248.374 2.320 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000132520745 191032584 /nfs/dbraw/zinc/03/25/84/191032584.db2.gz DBOSAVJNYGEVON-AAEUAGOBSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000132520745 191032585 /nfs/dbraw/zinc/03/25/85/191032585.db2.gz DBOSAVJNYGEVON-AAEUAGOBSA-N 2 2 210.365 2.249 10 0 BEAELP Cc1[nH+]c2ccccc2n1CCCC(N)=[NH2+] ZINC000019482368 180103265 /nfs/dbraw/zinc/10/32/65/180103265.db2.gz FIUPJPJMCNYFBP-UHFFFAOYSA-N 2 2 216.288 2.061 10 0 BEAELP Cc1[nH+]c2ccccc2n1CCCCC(N)=[NH2+] ZINC000049579826 180103309 /nfs/dbraw/zinc/10/33/09/180103309.db2.gz RMSMAAJGUYQHBI-UHFFFAOYSA-N 2 2 230.315 2.451 10 0 BEAELP Cc1[nH+]c2ccccc2n1[C@@H](C)[C@@H](C)[NH3+] ZINC000041053914 180104400 /nfs/dbraw/zinc/10/44/00/180104400.db2.gz VDNQPTKYTAJBDP-BDAKNGLRSA-N 2 2 203.289 2.253 10 0 BEAELP CCC[C@H]1CCCC[C@H]1[NH2+]CC[NH+](C)C ZINC000309237491 350216270 /nfs/dbraw/zinc/21/62/70/350216270.db2.gz XTQGMOUBYATGCW-QWHCGFSZSA-N 2 2 212.381 2.497 10 0 BEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC000178293891 180267820 /nfs/dbraw/zinc/26/78/20/180267820.db2.gz DSOKJAIHGONLGB-OGOUPESXSA-N 2 2 239.750 2.408 10 0 BEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C/C=C/Cl ZINC000178293891 180267823 /nfs/dbraw/zinc/26/78/23/180267823.db2.gz DSOKJAIHGONLGB-OGOUPESXSA-N 2 2 239.750 2.408 10 0 BEAELP CC[N@@H+]1CCCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616602888 350788096 /nfs/dbraw/zinc/78/80/96/350788096.db2.gz PMLQCSZAEWXGET-LBPRGKRZSA-N 2 2 219.332 2.084 10 0 BEAELP CC[N@H+]1CCCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616602888 350788097 /nfs/dbraw/zinc/78/80/97/350788097.db2.gz PMLQCSZAEWXGET-LBPRGKRZSA-N 2 2 219.332 2.084 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1cc2ccccc2cn1 ZINC000616607551 350800969 /nfs/dbraw/zinc/80/09/69/350800969.db2.gz JZRQWJGNTSYGEJ-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H]1c1cc2ccccc2cn1 ZINC000616607551 350800971 /nfs/dbraw/zinc/80/09/71/350800971.db2.gz JZRQWJGNTSYGEJ-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cnc2ccccc2c1 ZINC000616608344 350804379 /nfs/dbraw/zinc/80/43/79/350804379.db2.gz QPQFMDLSBUUSAJ-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1cnc2ccccc2c1 ZINC000616608344 350804381 /nfs/dbraw/zinc/80/43/81/350804381.db2.gz QPQFMDLSBUUSAJ-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccc2ccccc2n1 ZINC000616608412 350804455 /nfs/dbraw/zinc/80/44/55/350804455.db2.gz UENPJUYQRRDUIK-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H]1c1ccc2ccccc2n1 ZINC000616608412 350804456 /nfs/dbraw/zinc/80/44/56/350804456.db2.gz UENPJUYQRRDUIK-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP COc1ccc([C@@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616616738 350856211 /nfs/dbraw/zinc/85/62/11/350856211.db2.gz WGTPCCUGWRGDDJ-AWEZNQCLSA-N 2 2 234.343 2.181 10 0 BEAELP COc1ccc([C@@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616616738 350856214 /nfs/dbraw/zinc/85/62/14/350856214.db2.gz WGTPCCUGWRGDDJ-AWEZNQCLSA-N 2 2 234.343 2.181 10 0 BEAELP CC(C)[NH+]1CCC(c2ccc(N)[nH+]c2)CC1 ZINC000616619470 350927407 /nfs/dbraw/zinc/92/74/07/350927407.db2.gz PCFFMJQRJBBNNC-UHFFFAOYSA-N 2 2 219.332 2.082 10 0 BEAELP CC(C)(C)[N@@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616620702 350944873 /nfs/dbraw/zinc/94/48/73/350944873.db2.gz MREYOBQIZFGOGH-GFCCVEGCSA-N 2 2 233.359 2.472 10 0 BEAELP CC(C)(C)[N@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616620702 350944875 /nfs/dbraw/zinc/94/48/75/350944875.db2.gz MREYOBQIZFGOGH-GFCCVEGCSA-N 2 2 233.359 2.472 10 0 BEAELP CC(C)=CC[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000309526735 191127345 /nfs/dbraw/zinc/12/73/45/191127345.db2.gz COWNKVAHQKIKEN-GFCCVEGCSA-N 2 2 219.332 2.062 10 0 BEAELP CC(C)(C)[N@@H+]1CCCO[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616650358 351177757 /nfs/dbraw/zinc/17/77/57/351177757.db2.gz YPCXMWHMMQXCEO-LBPRGKRZSA-N 2 2 249.358 2.056 10 0 BEAELP CC(C)(C)[N@H+]1CCCO[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616650358 351177759 /nfs/dbraw/zinc/17/77/59/351177759.db2.gz YPCXMWHMMQXCEO-LBPRGKRZSA-N 2 2 249.358 2.056 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638407658 352212983 /nfs/dbraw/zinc/21/29/83/352212983.db2.gz CLKPUNVCQBXQOK-XJFOESAGSA-N 2 2 222.376 2.106 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638407658 352212985 /nfs/dbraw/zinc/21/29/85/352212985.db2.gz CLKPUNVCQBXQOK-XJFOESAGSA-N 2 2 222.376 2.106 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000638409755 352216633 /nfs/dbraw/zinc/21/66/33/352216633.db2.gz RINXQTPSOJETLH-CYBMUJFWSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000638409755 352216636 /nfs/dbraw/zinc/21/66/36/352216636.db2.gz RINXQTPSOJETLH-CYBMUJFWSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000638409756 352216760 /nfs/dbraw/zinc/21/67/60/352216760.db2.gz RINXQTPSOJETLH-ZDUSSCGKSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000638409756 352216763 /nfs/dbraw/zinc/21/67/63/352216763.db2.gz RINXQTPSOJETLH-ZDUSSCGKSA-N 2 2 224.392 2.497 10 0 BEAELP C[NH2+]CC1CCC(Nc2cccc[nH+]2)CC1 ZINC000725272450 538104268 /nfs/dbraw/zinc/10/42/68/538104268.db2.gz QGZGOXYLZMOERB-UHFFFAOYSA-N 2 2 219.332 2.272 10 0 BEAELP C/C=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000307433443 352595449 /nfs/dbraw/zinc/59/54/49/352595449.db2.gz NZDIURAFJNIMEO-XYBNCVKDSA-N 2 2 230.355 2.427 10 0 BEAELP C/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000307433443 352595454 /nfs/dbraw/zinc/59/54/54/352595454.db2.gz NZDIURAFJNIMEO-XYBNCVKDSA-N 2 2 230.355 2.427 10 0 BEAELP C[C@@H]1CCC[N@@H+]1[C@H](C[NH3+])c1ccsc1 ZINC000252194469 363210382 /nfs/dbraw/zinc/21/03/82/363210382.db2.gz SDMAHBJAIMFVAY-MWLCHTKSSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H]1CCC[N@H+]1[C@H](C[NH3+])c1ccsc1 ZINC000252194469 363210384 /nfs/dbraw/zinc/21/03/84/363210384.db2.gz SDMAHBJAIMFVAY-MWLCHTKSSA-N 2 2 210.346 2.232 10 0 BEAELP CC1CCC(C[NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000084339332 538113775 /nfs/dbraw/zinc/11/37/75/538113775.db2.gz INJUDPZUGLNEBE-JXQTWKCFSA-N 2 2 224.392 2.497 10 0 BEAELP CC1CCC(C[NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000084339332 538113776 /nfs/dbraw/zinc/11/37/76/538113776.db2.gz INJUDPZUGLNEBE-JXQTWKCFSA-N 2 2 224.392 2.497 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CSC[C@@H]1C ZINC000304555653 188250976 /nfs/dbraw/zinc/25/09/76/188250976.db2.gz VCTTVTUUBPDLPU-XQQFMLRXSA-N 2 2 244.448 2.304 10 0 BEAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccco1 ZINC000062772000 188303194 /nfs/dbraw/zinc/30/31/94/188303194.db2.gz UHMDHZVSIAERTE-JSGCOSHPSA-N 2 2 238.375 2.386 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000336746237 188346532 /nfs/dbraw/zinc/34/65/32/188346532.db2.gz BSBDLEFAMGIKTJ-RWMBFGLXSA-N 2 2 212.381 2.208 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000389188446 355778929 /nfs/dbraw/zinc/77/89/29/355778929.db2.gz TYFWBTQULKTCDL-UPJWGTAASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000389188446 355778933 /nfs/dbraw/zinc/77/89/33/355778933.db2.gz TYFWBTQULKTCDL-UPJWGTAASA-N 2 2 224.392 2.495 10 0 BEAELP CCC[NH2+]Cc1nc(C[N@H+](C)CC)cs1 ZINC000052445721 538470490 /nfs/dbraw/zinc/47/04/90/538470490.db2.gz SWCOQKZHUPJDAC-UHFFFAOYSA-N 2 2 227.377 2.094 10 0 BEAELP CCC[NH2+]Cc1nc(C[N@@H+](C)CC)cs1 ZINC000052445721 538470493 /nfs/dbraw/zinc/47/04/93/538470493.db2.gz SWCOQKZHUPJDAC-UHFFFAOYSA-N 2 2 227.377 2.094 10 0 BEAELP CC[N@H+](C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052445779 538470504 /nfs/dbraw/zinc/47/05/04/538470504.db2.gz QWNLKKVEPKJYNU-UHFFFAOYSA-N 2 2 241.404 2.340 10 0 BEAELP CC[N@@H+](C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052445779 538470507 /nfs/dbraw/zinc/47/05/07/538470507.db2.gz QWNLKKVEPKJYNU-UHFFFAOYSA-N 2 2 241.404 2.340 10 0 BEAELP CC1(C)CC[NH+](CC23CCC(CC2)[NH2+]3)CC1 ZINC000675055908 538476805 /nfs/dbraw/zinc/47/68/05/538476805.db2.gz CVEBXWAUWLYJET-UHFFFAOYSA-N 2 2 222.376 2.393 10 0 BEAELP C[C@@H]1CCC[N@H+](CC23CCC(CC2)[NH2+]3)[C@@H]1C ZINC000675056024 538476856 /nfs/dbraw/zinc/47/68/56/538476856.db2.gz IJJZVLHCRWUGLT-IWMBGFJWSA-N 2 2 222.376 2.391 10 0 BEAELP C[C@@H]1CCC[N@@H+](CC23CCC(CC2)[NH2+]3)[C@@H]1C ZINC000675056024 538476858 /nfs/dbraw/zinc/47/68/58/538476858.db2.gz IJJZVLHCRWUGLT-IWMBGFJWSA-N 2 2 222.376 2.391 10 0 BEAELP C[NH2+]C1([C@H]([NH3+])c2ccccc2)CCCC1 ZINC000145920013 491107468 /nfs/dbraw/zinc/10/74/68/491107468.db2.gz ITPILRQRLQJDAJ-GFCCVEGCSA-N 2 2 204.317 2.219 10 0 BEAELP CCCO[C@H]1CCC[N@H+](CC[NH2+]C(C)C)CC1 ZINC000193441851 357925579 /nfs/dbraw/zinc/92/55/79/357925579.db2.gz MRMREQNWCXXMGG-AWEZNQCLSA-N 2 2 242.407 2.266 10 0 BEAELP CCCO[C@H]1CCC[N@@H+](CC[NH2+]C(C)C)CC1 ZINC000193441851 357925583 /nfs/dbraw/zinc/92/55/83/357925583.db2.gz MRMREQNWCXXMGG-AWEZNQCLSA-N 2 2 242.407 2.266 10 0 BEAELP CC(C)[NH2+]CC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000193496875 357928825 /nfs/dbraw/zinc/92/88/25/357928825.db2.gz NTVNBSFZCZJXBL-TZMCWYRMSA-N 2 2 248.370 2.139 10 0 BEAELP C[C@@H](CC1CCC1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000132515073 491136462 /nfs/dbraw/zinc/13/64/62/491136462.db2.gz FPMXKPVTZMJGGO-AAEUAGOBSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H](CC1CCC1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000132515073 491136463 /nfs/dbraw/zinc/13/64/63/491136463.db2.gz FPMXKPVTZMJGGO-AAEUAGOBSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000309044802 491143326 /nfs/dbraw/zinc/14/33/26/491143326.db2.gz NTFHGRDLZUIELD-DMDPSCGWSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000309044802 491143327 /nfs/dbraw/zinc/14/33/27/491143327.db2.gz NTFHGRDLZUIELD-DMDPSCGWSA-N 2 2 210.365 2.105 10 0 BEAELP CCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799982 360558447 /nfs/dbraw/zinc/55/84/47/360558447.db2.gz UJVFXUJJPZMMKH-QWRGUYRKSA-N 2 2 210.346 2.232 10 0 BEAELP CCC[N@H+]1CC[C@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799982 360558451 /nfs/dbraw/zinc/55/84/51/360558451.db2.gz UJVFXUJJPZMMKH-QWRGUYRKSA-N 2 2 210.346 2.232 10 0 BEAELP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069800118 360558617 /nfs/dbraw/zinc/55/86/17/360558617.db2.gz HGMGTWFYVBZVMA-QWRGUYRKSA-N 2 2 210.346 2.231 10 0 BEAELP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069800118 360558624 /nfs/dbraw/zinc/55/86/24/360558624.db2.gz HGMGTWFYVBZVMA-QWRGUYRKSA-N 2 2 210.346 2.231 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccco2)C1 ZINC000328205508 364817950 /nfs/dbraw/zinc/81/79/50/364817950.db2.gz TXNPRKVWLQSSHG-QWHCGFSZSA-N 2 2 236.359 2.285 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccco2)C1 ZINC000328205508 364817953 /nfs/dbraw/zinc/81/79/53/364817953.db2.gz TXNPRKVWLQSSHG-QWHCGFSZSA-N 2 2 236.359 2.285 10 0 BEAELP [NH3+]CCC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000053705626 181371702 /nfs/dbraw/zinc/37/17/02/181371702.db2.gz JZACNCBGCHYVKZ-UHFFFAOYSA-N 2 2 244.342 2.128 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384501090 367694042 /nfs/dbraw/zinc/69/40/42/367694042.db2.gz CKJAHLIZIPEMBT-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384501090 367694050 /nfs/dbraw/zinc/69/40/50/367694050.db2.gz CKJAHLIZIPEMBT-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP CSCCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000231784342 372078641 /nfs/dbraw/zinc/07/86/41/372078641.db2.gz ZKTXZZGLNCQQMZ-UHFFFAOYSA-N 2 2 238.400 2.200 10 0 BEAELP CSCCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000231784342 372078645 /nfs/dbraw/zinc/07/86/45/372078645.db2.gz ZKTXZZGLNCQQMZ-UHFFFAOYSA-N 2 2 238.400 2.200 10 0 BEAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000040672425 373588593 /nfs/dbraw/zinc/58/85/93/373588593.db2.gz ZCBXTTOLDSAPRQ-STQMWFEESA-N 2 2 208.349 2.027 10 0 BEAELP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000040672425 373588597 /nfs/dbraw/zinc/58/85/97/373588597.db2.gz ZCBXTTOLDSAPRQ-STQMWFEESA-N 2 2 208.349 2.027 10 0 BEAELP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040672428 373589181 /nfs/dbraw/zinc/58/91/81/373589181.db2.gz LJBDHYKBJVSYSZ-UKRRQHHQSA-N 2 2 232.371 2.474 10 0 BEAELP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040672428 373589191 /nfs/dbraw/zinc/58/91/91/373589191.db2.gz LJBDHYKBJVSYSZ-UKRRQHHQSA-N 2 2 232.371 2.474 10 0 BEAELP CCOc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000040673183 373592269 /nfs/dbraw/zinc/59/22/69/373592269.db2.gz BEHDBQGVYWYIKI-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP CCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000040673183 373592276 /nfs/dbraw/zinc/59/22/76/373592276.db2.gz BEHDBQGVYWYIKI-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP C[N@@H+]1CCCC[C@H]([NH3+])[C@@H]1c1cccs1 ZINC000069799141 373807369 /nfs/dbraw/zinc/80/73/69/373807369.db2.gz BGMKFAOTMVIHHI-GXSJLCMTSA-N 2 2 210.346 2.232 10 0 BEAELP C[N@H+]1CCCC[C@H]([NH3+])[C@@H]1c1cccs1 ZINC000069799141 373807374 /nfs/dbraw/zinc/80/73/74/373807374.db2.gz BGMKFAOTMVIHHI-GXSJLCMTSA-N 2 2 210.346 2.232 10 0 BEAELP Cc1cc([C@@H]2[C@@H]([NH3+])CC[N@H+]2C)c(C)s1 ZINC000069799068 373807577 /nfs/dbraw/zinc/80/75/77/373807577.db2.gz CSXFVOZKOIPULA-WDEREUQCSA-N 2 2 210.346 2.069 10 0 BEAELP Cc1cc([C@@H]2[C@@H]([NH3+])CC[N@@H+]2C)c(C)s1 ZINC000069799068 373807579 /nfs/dbraw/zinc/80/75/79/373807579.db2.gz CSXFVOZKOIPULA-WDEREUQCSA-N 2 2 210.346 2.069 10 0 BEAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000020225876 169085950 /nfs/dbraw/zinc/08/59/50/169085950.db2.gz UUHDGOHMSVLBSK-ZDUSSCGKSA-N 2 2 222.332 2.037 10 0 BEAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000020225876 169085952 /nfs/dbraw/zinc/08/59/52/169085952.db2.gz UUHDGOHMSVLBSK-ZDUSSCGKSA-N 2 2 222.332 2.037 10 0 BEAELP CCC[N@H+](C)[C@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042960737 169088246 /nfs/dbraw/zinc/08/82/46/169088246.db2.gz WAGIAVCSLYQGLO-RISCZKNCSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[N@@H+](C)[C@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042960737 169088250 /nfs/dbraw/zinc/08/82/50/169088250.db2.gz WAGIAVCSLYQGLO-RISCZKNCSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000037094705 169131697 /nfs/dbraw/zinc/13/16/97/169131697.db2.gz YKXGOJIXZBXEOI-AWEZNQCLSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000037094705 169131700 /nfs/dbraw/zinc/13/17/00/169131700.db2.gz YKXGOJIXZBXEOI-AWEZNQCLSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[NH+](CCC)C[C@@H]([NH3+])CC(C)C ZINC000039141045 169146977 /nfs/dbraw/zinc/14/69/77/169146977.db2.gz ORNBJSRGPVXGEI-LBPRGKRZSA-N 2 2 200.370 2.482 10 0 BEAELP CCC[NH2+]C[C@@H](CC)[N@H+](C)CCc1ccccn1 ZINC000052423776 169262925 /nfs/dbraw/zinc/26/29/25/169262925.db2.gz WIYOHUCRQRFATC-OAHLLOKOSA-N 2 2 249.402 2.334 10 0 BEAELP CCC[NH2+]C[C@@H](CC)[N@@H+](C)CCc1ccccn1 ZINC000052423776 169262928 /nfs/dbraw/zinc/26/29/28/169262928.db2.gz WIYOHUCRQRFATC-OAHLLOKOSA-N 2 2 249.402 2.334 10 0 BEAELP CCC[NH2+]CC(C)(C)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000051216957 169256214 /nfs/dbraw/zinc/25/62/14/169256214.db2.gz QUYLOIBJLLBINY-QWHCGFSZSA-N 2 2 242.407 2.121 10 0 BEAELP CCC[NH2+]CC(C)(C)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000051216957 169256215 /nfs/dbraw/zinc/25/62/15/169256215.db2.gz QUYLOIBJLLBINY-QWHCGFSZSA-N 2 2 242.407 2.121 10 0 BEAELP CCC[NH2+][C@H](C)C[N@H+](CC1CC1)C(C)C ZINC000043975146 169285703 /nfs/dbraw/zinc/28/57/03/169285703.db2.gz XWCPGKBVKMOHOP-GFCCVEGCSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[NH2+][C@H](C)C[N@@H+](CC1CC1)C(C)C ZINC000043975146 169285704 /nfs/dbraw/zinc/28/57/04/169285704.db2.gz XWCPGKBVKMOHOP-GFCCVEGCSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1[C@@H]1CCOC1 ZINC000112174105 169287236 /nfs/dbraw/zinc/28/72/36/169287236.db2.gz LTMKKNQXXACDKL-MGPQQGTHSA-N 2 2 240.391 2.018 10 0 BEAELP CCC[NH2+][C@H](C)[C@H]1CCCC[N@H+]1[C@@H]1CCOC1 ZINC000112174105 169287238 /nfs/dbraw/zinc/28/72/38/169287238.db2.gz LTMKKNQXXACDKL-MGPQQGTHSA-N 2 2 240.391 2.018 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@H+](Cc2cccnc2)[C@H](C)C1 ZINC000049712461 169283165 /nfs/dbraw/zinc/28/31/65/169283165.db2.gz WUHQVKCKXUZMFB-UKRRQHHQSA-N 2 2 247.386 2.434 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@@H+](Cc2cccnc2)[C@H](C)C1 ZINC000049712461 169283166 /nfs/dbraw/zinc/28/31/66/169283166.db2.gz WUHQVKCKXUZMFB-UKRRQHHQSA-N 2 2 247.386 2.434 10 0 BEAELP CCC[NH2+][C@H]1CC[N@H+](Cc2ccco2)C[C@@H]1C ZINC000049708499 169291543 /nfs/dbraw/zinc/29/15/43/169291543.db2.gz USRJVVGMPIKJAQ-JSGCOSHPSA-N 2 2 236.359 2.490 10 0 BEAELP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccco2)C[C@@H]1C ZINC000049708499 169291545 /nfs/dbraw/zinc/29/15/45/169291545.db2.gz USRJVVGMPIKJAQ-JSGCOSHPSA-N 2 2 236.359 2.490 10 0 BEAELP CCC[C@@H](C)C[NH2+]CC[N@H+](C)C(C)C ZINC000054111022 169359348 /nfs/dbraw/zinc/35/93/48/169359348.db2.gz IXCWHPWUEKUXBA-GFCCVEGCSA-N 2 2 200.370 2.352 10 0 BEAELP CCC[C@@H](C)C[NH2+]CC[N@@H+](C)C(C)C ZINC000054111022 169359350 /nfs/dbraw/zinc/35/93/50/169359350.db2.gz IXCWHPWUEKUXBA-GFCCVEGCSA-N 2 2 200.370 2.352 10 0 BEAELP CCC[C@@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000022215145 169383588 /nfs/dbraw/zinc/38/35/88/169383588.db2.gz VQFOJASMHXXCER-NSHDSACASA-N 2 2 224.373 2.234 10 0 BEAELP CCC[C@@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000022215145 169383589 /nfs/dbraw/zinc/38/35/89/169383589.db2.gz VQFOJASMHXXCER-NSHDSACASA-N 2 2 224.373 2.234 10 0 BEAELP CCC[C@@H]([NH3+])[C@H](CC)[N@H+](C)Cc1cccnc1 ZINC000036771086 169393159 /nfs/dbraw/zinc/39/31/59/169393159.db2.gz DKDKAAWNFCYONW-KGLIPLIRSA-N 2 2 235.375 2.419 10 0 BEAELP CCC[C@@H]([NH3+])[C@H](CC)[N@@H+](C)Cc1cccnc1 ZINC000036771086 169393160 /nfs/dbraw/zinc/39/31/60/169393160.db2.gz DKDKAAWNFCYONW-KGLIPLIRSA-N 2 2 235.375 2.419 10 0 BEAELP C[NH+](C)CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037184148 383954599 /nfs/dbraw/zinc/95/45/99/383954599.db2.gz MHIQEMLFWOHRHG-AWEZNQCLSA-N 2 2 236.334 2.428 10 0 BEAELP CCC1(CC)NC(C)=C(C[NH+](C)C)C(C)=[NH+]1 ZINC000039102431 384103443 /nfs/dbraw/zinc/10/34/43/384103443.db2.gz CCOAHWMUXIJDEX-UHFFFAOYSA-N 2 2 223.364 2.402 10 0 BEAELP CC(C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247977943 384228943 /nfs/dbraw/zinc/22/89/43/384228943.db2.gz LRLRTSWPZXUMIZ-FRRDWIJNSA-N 2 2 212.381 2.349 10 0 BEAELP CC(C)[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247977943 384228947 /nfs/dbraw/zinc/22/89/47/384228947.db2.gz LRLRTSWPZXUMIZ-FRRDWIJNSA-N 2 2 212.381 2.349 10 0 BEAELP C[C@@H]([NH3+])[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000043114967 384251801 /nfs/dbraw/zinc/25/18/01/384251801.db2.gz MKAZJKMXJKZHBH-KOLCDFICSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1[NH3+])c1nccs1 ZINC000095068325 384331169 /nfs/dbraw/zinc/33/11/69/384331169.db2.gz QFBAZHKNXKPXAC-KXUCPTDWSA-N 2 2 225.361 2.064 10 0 BEAELP c1cn2c([nH+]1)[C@H](C[NH2+]C1CCCC1)CCC2 ZINC000309542378 384477192 /nfs/dbraw/zinc/47/71/92/384477192.db2.gz GSMIZCIPRNVGCP-NSHDSACASA-N 2 2 219.332 2.293 10 0 BEAELP CCC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000020091976 384574249 /nfs/dbraw/zinc/57/42/49/384574249.db2.gz VLHUPRHZIXLLKF-STQMWFEESA-N 2 2 212.381 2.497 10 0 BEAELP CCC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000020091976 384574253 /nfs/dbraw/zinc/57/42/53/384574253.db2.gz VLHUPRHZIXLLKF-STQMWFEESA-N 2 2 212.381 2.497 10 0 BEAELP [NH3+]C[C@H](c1ccc(Cl)s1)n1cc[nH+]c1 ZINC000043254324 384682924 /nfs/dbraw/zinc/68/29/24/384682924.db2.gz HZXJJIBVWFFKKH-SSDOTTSWSA-N 2 2 227.720 2.146 10 0 BEAELP CC(C)(C)CC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000365615652 384909358 /nfs/dbraw/zinc/90/93/58/384909358.db2.gz YZNBVBYUBUFUNR-JTQLQIEISA-N 2 2 221.348 2.293 10 0 BEAELP CC(C)(C)CC[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000365615652 384909364 /nfs/dbraw/zinc/90/93/64/384909364.db2.gz YZNBVBYUBUFUNR-JTQLQIEISA-N 2 2 221.348 2.293 10 0 BEAELP CCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044685389 385219656 /nfs/dbraw/zinc/21/96/56/385219656.db2.gz VJPJBAWQXWHFKB-RYUDHWBXSA-N 2 2 210.365 2.249 10 0 BEAELP CCC[C@H](C)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044685389 385219660 /nfs/dbraw/zinc/21/96/60/385219660.db2.gz VJPJBAWQXWHFKB-RYUDHWBXSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cncs1 ZINC000131886321 385367179 /nfs/dbraw/zinc/36/71/79/385367179.db2.gz XXNIXNSTBGBIQC-SNVBAGLBSA-N 2 2 241.404 2.382 10 0 BEAELP C[NH2+][C@@H](C[NH3+])c1csc2ccccc12 ZINC000054464595 385590099 /nfs/dbraw/zinc/59/00/99/385590099.db2.gz FISGGBNMXVGGLG-JTQLQIEISA-N 2 2 206.314 2.121 10 0 BEAELP FCC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000309583021 385715913 /nfs/dbraw/zinc/71/59/13/385715913.db2.gz RCOASHRCCUVRGK-STQMWFEESA-N 2 2 228.355 2.200 10 0 BEAELP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000336720880 385889298 /nfs/dbraw/zinc/88/92/98/385889298.db2.gz ZHYRTXBMELPBQV-WUHRBBMRSA-N 2 2 242.432 2.199 10 0 BEAELP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000336720880 385889301 /nfs/dbraw/zinc/88/93/01/385889301.db2.gz ZHYRTXBMELPBQV-WUHRBBMRSA-N 2 2 242.432 2.199 10 0 BEAELP CCC[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000336721891 386000828 /nfs/dbraw/zinc/00/08/28/386000828.db2.gz DPYAAGAVNHFDAJ-CHWSQXEVSA-N 2 2 221.348 2.442 10 0 BEAELP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000336770805 386027680 /nfs/dbraw/zinc/02/76/80/386027680.db2.gz VYLRVWBIKZTKCF-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000336770805 386027685 /nfs/dbraw/zinc/02/76/85/386027685.db2.gz VYLRVWBIKZTKCF-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP C[N@H+](Cc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000062911528 386533403 /nfs/dbraw/zinc/53/34/03/386533403.db2.gz SPGDEVCGIDYDAZ-CQSZACIVSA-N 2 2 236.334 2.257 10 0 BEAELP C[N@@H+](Cc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000062911528 386533406 /nfs/dbraw/zinc/53/34/06/386533406.db2.gz SPGDEVCGIDYDAZ-CQSZACIVSA-N 2 2 236.334 2.257 10 0 BEAELP C[N@H+](Cc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000062911527 386533664 /nfs/dbraw/zinc/53/36/64/386533664.db2.gz SPGDEVCGIDYDAZ-AWEZNQCLSA-N 2 2 236.334 2.257 10 0 BEAELP C[N@@H+](Cc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000062911527 386533668 /nfs/dbraw/zinc/53/36/68/386533668.db2.gz SPGDEVCGIDYDAZ-AWEZNQCLSA-N 2 2 236.334 2.257 10 0 BEAELP CC(C)[C@@H]([NH3+])C[N@H+](C)C1CCC(C)CC1 ZINC000042488239 168160088 /nfs/dbraw/zinc/16/00/88/168160088.db2.gz GCYQMHOGPJXOSE-BPCQOVAHSA-N 2 2 212.381 2.480 10 0 BEAELP CC(C)[C@@H]([NH3+])C[N@@H+](C)C1CCC(C)CC1 ZINC000042488239 168160090 /nfs/dbraw/zinc/16/00/90/168160090.db2.gz GCYQMHOGPJXOSE-BPCQOVAHSA-N 2 2 212.381 2.480 10 0 BEAELP C[C@@H]([NH3+])CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486237 387064243 /nfs/dbraw/zinc/06/42/43/387064243.db2.gz VJEGWZYTIJICFD-SSDOTTSWSA-N 2 2 233.237 2.250 10 0 BEAELP CC(C)[C@@H](C)c1[nH+]c2n(c1C[NH3+])CCCC2 ZINC000536956039 387169024 /nfs/dbraw/zinc/16/90/24/387169024.db2.gz WVUNNJAMWFTDCM-SNVBAGLBSA-N 2 2 221.348 2.438 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000120290954 387184162 /nfs/dbraw/zinc/18/41/62/387184162.db2.gz GLDSCMYJYQBWQM-FMCLSXCISA-N 2 2 222.376 2.390 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000120290954 387184165 /nfs/dbraw/zinc/18/41/65/387184165.db2.gz GLDSCMYJYQBWQM-FMCLSXCISA-N 2 2 222.376 2.390 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2C[C@@H]2C)C1 ZINC000321758411 387302102 /nfs/dbraw/zinc/30/21/02/387302102.db2.gz CFNNFXZCXLOTPP-QNWHQSFQSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2C[C@@H]2C)C1 ZINC000321758411 387302108 /nfs/dbraw/zinc/30/21/08/387302108.db2.gz CFNNFXZCXLOTPP-QNWHQSFQSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324854551 387541371 /nfs/dbraw/zinc/54/13/71/387541371.db2.gz ZARWZQRIBIMINB-KGLIPLIRSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324854551 387541376 /nfs/dbraw/zinc/54/13/76/387541376.db2.gz ZARWZQRIBIMINB-KGLIPLIRSA-N 2 2 222.376 2.249 10 0 BEAELP Cc1nc(C[N@H+](C)CCCn2cc[nH+]c2)oc1C ZINC000124236742 387611240 /nfs/dbraw/zinc/61/12/40/387611240.db2.gz XJAAMMXSUPITGV-UHFFFAOYSA-N 2 2 248.330 2.010 10 0 BEAELP Cc1nc(C[N@@H+](C)CCCn2cc[nH+]c2)oc1C ZINC000124236742 387611245 /nfs/dbraw/zinc/61/12/45/387611245.db2.gz XJAAMMXSUPITGV-UHFFFAOYSA-N 2 2 248.330 2.010 10 0 BEAELP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)o1 ZINC000396663483 387941131 /nfs/dbraw/zinc/94/11/31/387941131.db2.gz OMNGLZGGGDOHNP-SRVKXCTJSA-N 2 2 222.332 2.379 10 0 BEAELP CC(C)[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000159088719 387984585 /nfs/dbraw/zinc/98/45/85/387984585.db2.gz LRLRTSWPZXUMIZ-AVGNSLFASA-N 2 2 212.381 2.349 10 0 BEAELP CC(C)[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000159088719 387984589 /nfs/dbraw/zinc/98/45/89/387984589.db2.gz LRLRTSWPZXUMIZ-AVGNSLFASA-N 2 2 212.381 2.349 10 0 BEAELP C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000042944579 388446017 /nfs/dbraw/zinc/44/60/17/388446017.db2.gz QTPXZKPCJBDDKS-KCJUWKMLSA-N 2 2 212.724 2.290 10 0 BEAELP C[N@H+](Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC000054134905 388593123 /nfs/dbraw/zinc/59/31/23/388593123.db2.gz XOYMABRSPJRUTH-AWEZNQCLSA-N 2 2 218.344 2.261 10 0 BEAELP C[N@@H+](Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC000054134905 388593124 /nfs/dbraw/zinc/59/31/24/388593124.db2.gz XOYMABRSPJRUTH-AWEZNQCLSA-N 2 2 218.344 2.261 10 0 BEAELP CC(C)(C)c1c[nH+]c(CC2CC[NH2+]CC2)[nH]1 ZINC000038076162 388697280 /nfs/dbraw/zinc/69/72/80/388697280.db2.gz REPWJQANIWXTGY-UHFFFAOYSA-N 2 2 221.348 2.249 10 0 BEAELP CC[C@H](C)C[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000129064994 388814253 /nfs/dbraw/zinc/81/42/53/388814253.db2.gz WUNMHMOMIAGRBW-AVGNSLFASA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H](C)C[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000129064994 388814257 /nfs/dbraw/zinc/81/42/57/388814257.db2.gz WUNMHMOMIAGRBW-AVGNSLFASA-N 2 2 212.381 2.351 10 0 BEAELP C[C@@H]1[C@@H](C)CCCN1c1cc[nH+]c(C[NH3+])c1 ZINC000051396021 132359974 /nfs/dbraw/zinc/35/99/74/132359974.db2.gz FROVZDXINZKCEI-WDEREUQCSA-N 2 2 219.332 2.165 10 0 BEAELP CCc1nc(N2CCC([NH3+])CC2)cc(C(C)C)[nH+]1 ZINC000045951013 132299214 /nfs/dbraw/zinc/29/92/14/132299214.db2.gz DLPSIUQTIVUCOM-UHFFFAOYSA-N 2 2 248.374 2.090 10 0 BEAELP C[NH2+][C@H]1CCN(c2ccc([NH+](C)C)cc2)[C@@H](C)C1 ZINC000049711489 132357738 /nfs/dbraw/zinc/35/77/38/132357738.db2.gz ITUSKGBASKHSAU-STQMWFEESA-N 2 2 247.386 2.329 10 0 BEAELP Cc1nc(N2CCCC[C@H]2C[NH2+]C(C)C)cc[nH+]1 ZINC000054937618 132365095 /nfs/dbraw/zinc/36/50/95/132365095.db2.gz HXUQTVVPEBJRHN-ZDUSSCGKSA-N 2 2 248.374 2.142 10 0 BEAELP CCC[NH2+]C[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000054937643 132365320 /nfs/dbraw/zinc/36/53/20/132365320.db2.gz TTYJOULXTAHZTE-ZDUSSCGKSA-N 2 2 248.374 2.001 10 0 BEAELP CC[NH2+][C@@H]1CCN(c2c[nH+]ccc2C)[C@H](C)C1 ZINC000071414007 132391734 /nfs/dbraw/zinc/39/17/34/132391734.db2.gz CBCUDBSDPIFHMV-CHWSQXEVSA-N 2 2 233.359 2.357 10 0 BEAELP C[C@@H]1CC[N@@H+](C2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000179586153 134321654 /nfs/dbraw/zinc/32/16/54/134321654.db2.gz FZCCVSNSGTYVTE-YPMHNXCESA-N 2 2 219.332 2.319 10 0 BEAELP C[C@@H]1CC[N@H+](C2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000179586153 134321655 /nfs/dbraw/zinc/32/16/55/134321655.db2.gz FZCCVSNSGTYVTE-YPMHNXCESA-N 2 2 219.332 2.319 10 0 BEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C1CCC1 ZINC000179583382 134322049 /nfs/dbraw/zinc/32/20/49/134322049.db2.gz FXNXOJMQGIXXLD-CYBMUJFWSA-N 2 2 219.332 2.208 10 0 BEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C1CCC1 ZINC000179583382 134322050 /nfs/dbraw/zinc/32/20/50/134322050.db2.gz FXNXOJMQGIXXLD-CYBMUJFWSA-N 2 2 219.332 2.208 10 0 BEAELP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000070643721 135001823 /nfs/dbraw/zinc/00/18/23/135001823.db2.gz PKZKULUKLBDYCT-JHJVBQTASA-N 2 2 222.376 2.391 10 0 BEAELP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000070643721 135001825 /nfs/dbraw/zinc/00/18/25/135001825.db2.gz PKZKULUKLBDYCT-JHJVBQTASA-N 2 2 222.376 2.391 10 0 BEAELP CCCC[C@@H](C[NH3+])Nc1cc(C)cc[nH+]1 ZINC000087780047 135512543 /nfs/dbraw/zinc/51/25/43/135512543.db2.gz BPCJXOBBGWDMKL-NSHDSACASA-N 2 2 207.321 2.319 10 0 BEAELP C[C@H]([NH2+][C@H]1CC[C@H]([NH+](C)C)C1)c1ccco1 ZINC000090968123 135556577 /nfs/dbraw/zinc/55/65/77/135556577.db2.gz IPOXUOZTSRRLTI-SRVKXCTJSA-N 2 2 222.332 2.413 10 0 BEAELP CC(C)[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCCCO1 ZINC000053649027 167114821 /nfs/dbraw/zinc/11/48/21/167114821.db2.gz JAXUEZQMJGQIFW-KGLIPLIRSA-N 2 2 240.391 2.018 10 0 BEAELP Cn1c2ccccc2[nH+]c1NC[C@@H]1CCCC[NH2+]1 ZINC000079047908 487568387 /nfs/dbraw/zinc/56/83/87/487568387.db2.gz MCTRUZPBFRISLY-NSHDSACASA-N 2 2 244.342 2.127 10 0 BEAELP c1cc2cccc(C[NH2+][C@H]3CC[NH2+]C3)c2s1 ZINC000650740571 410374898 /nfs/dbraw/zinc/37/48/98/410374898.db2.gz MWBKJTSAJDDFJG-LBPRGKRZSA-N 2 2 232.352 2.353 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000309330724 167027684 /nfs/dbraw/zinc/02/76/84/167027684.db2.gz HSQMEUJGSITHIQ-UPJWGTAASA-N 2 2 242.432 2.058 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000309330724 167027686 /nfs/dbraw/zinc/02/76/86/167027686.db2.gz HSQMEUJGSITHIQ-UPJWGTAASA-N 2 2 242.432 2.058 10 0 BEAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+](C)C[C@@H]1CCCO1 ZINC000052540782 167108794 /nfs/dbraw/zinc/10/87/94/167108794.db2.gz YQWCJHSAACLVDY-KBPBESRZSA-N 2 2 242.407 2.120 10 0 BEAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000052540782 167108796 /nfs/dbraw/zinc/10/87/96/167108796.db2.gz YQWCJHSAACLVDY-KBPBESRZSA-N 2 2 242.407 2.120 10 0 BEAELP CC(C)[NH2+]C[C@H](C(C)C)[N@H+](C)C[C@@H]1CCCO1 ZINC000052540781 167113189 /nfs/dbraw/zinc/11/31/89/167113189.db2.gz YQWCJHSAACLVDY-UONOGXRCSA-N 2 2 242.407 2.120 10 0 BEAELP CC(C)[NH2+]C[C@H](C(C)C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000052540781 167113191 /nfs/dbraw/zinc/11/31/91/167113191.db2.gz YQWCJHSAACLVDY-UONOGXRCSA-N 2 2 242.407 2.120 10 0 BEAELP CC(C)[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000053649027 167114819 /nfs/dbraw/zinc/11/48/19/167114819.db2.gz JAXUEZQMJGQIFW-KGLIPLIRSA-N 2 2 240.391 2.018 10 0 BEAELP CC(C)[NH2+]Cc1c[nH+]c(Cc2ccccc2)[nH]1 ZINC000062821262 167116116 /nfs/dbraw/zinc/11/61/16/167116116.db2.gz GSJGOQRMKHUQNR-UHFFFAOYSA-N 2 2 229.327 2.499 10 0 BEAELP CC(C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000152014638 167140762 /nfs/dbraw/zinc/14/07/62/167140762.db2.gz NVXPFFFEPDEPDQ-ZFWWWQNUSA-N 2 2 247.386 2.290 10 0 BEAELP CC(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000152014638 167140764 /nfs/dbraw/zinc/14/07/64/167140764.db2.gz NVXPFFFEPDEPDQ-ZFWWWQNUSA-N 2 2 247.386 2.290 10 0 BEAELP CC[NH+](CC)CC[C@@H]([NH3+])c1cccs1 ZINC000020274134 169784247 /nfs/dbraw/zinc/78/42/47/169784247.db2.gz DZAUSWMIZKKSSV-SNVBAGLBSA-N 2 2 212.362 2.480 10 0 BEAELP CC(C)Oc1ccc([C@@H](C[NH3+])[NH2+]C2CC2)cc1 ZINC000050271350 167298257 /nfs/dbraw/zinc/29/82/57/167298257.db2.gz JVZXIIALLYZHKM-CQSZACIVSA-N 2 2 234.343 2.226 10 0 BEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H](C)Cc1ccco1 ZINC000062772001 167395860 /nfs/dbraw/zinc/39/58/60/167395860.db2.gz UHMDHZVSIAERTE-TZMCWYRMSA-N 2 2 238.375 2.386 10 0 BEAELP C[C@@H]1CCC[N@@H+]1C1(C[NH3+])CCC(C)CC1 ZINC000037910402 168153394 /nfs/dbraw/zinc/15/33/94/168153394.db2.gz FQQAPUDVODFRMK-OTTFEQOBSA-N 2 2 210.365 2.378 10 0 BEAELP C[C@@H]1CCC[N@H+]1C1(C[NH3+])CCC(C)CC1 ZINC000037910402 168153395 /nfs/dbraw/zinc/15/33/95/168153395.db2.gz FQQAPUDVODFRMK-OTTFEQOBSA-N 2 2 210.365 2.378 10 0 BEAELP CC1CCC(C[NH3+])([N@H+](C)Cc2cccnc2)CC1 ZINC000036771012 168154082 /nfs/dbraw/zinc/15/40/82/168154082.db2.gz LCZTUARXAVKZJI-UHFFFAOYSA-N 2 2 247.386 2.421 10 0 BEAELP CC1CCC(C[NH3+])([N@@H+](C)Cc2cccnc2)CC1 ZINC000036771012 168154086 /nfs/dbraw/zinc/15/40/86/168154086.db2.gz LCZTUARXAVKZJI-UHFFFAOYSA-N 2 2 247.386 2.421 10 0 BEAELP CC(C)[C@H]([NH3+])C[N@H+](C)C1CCC(C)CC1 ZINC000042488240 168158700 /nfs/dbraw/zinc/15/87/00/168158700.db2.gz GCYQMHOGPJXOSE-WXRRBKDZSA-N 2 2 212.381 2.480 10 0 BEAELP CC(C)[C@H]([NH3+])C[N@@H+](C)C1CCC(C)CC1 ZINC000042488240 168158702 /nfs/dbraw/zinc/15/87/02/168158702.db2.gz GCYQMHOGPJXOSE-WXRRBKDZSA-N 2 2 212.381 2.480 10 0 BEAELP CC(C)C1([NH2+]CC[NH+]2CCC(C)CC2)CC1 ZINC000339507920 168181822 /nfs/dbraw/zinc/18/18/22/168181822.db2.gz OIRAHBXIVWRHJW-UHFFFAOYSA-N 2 2 224.392 2.497 10 0 BEAELP CC1CC[NH+]([C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])CC1 ZINC000023069619 168185981 /nfs/dbraw/zinc/18/59/81/168185981.db2.gz VNHAAJAJYUQMII-RWMBFGLXSA-N 2 2 210.365 2.234 10 0 BEAELP C[C@@H]([NH3+])[C@H](c1ccco1)[NH+]1CCC(C)CC1 ZINC000043334293 168187133 /nfs/dbraw/zinc/18/71/33/168187133.db2.gz QVIUFXGLGQAOBF-DGCLKSJQSA-N 2 2 222.332 2.400 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000328526656 170022162 /nfs/dbraw/zinc/02/21/62/170022162.db2.gz URFXFEJOHVXOQK-YIYPIFLZSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000328526656 170022164 /nfs/dbraw/zinc/02/21/64/170022164.db2.gz URFXFEJOHVXOQK-YIYPIFLZSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000336899010 170022254 /nfs/dbraw/zinc/02/22/54/170022254.db2.gz QXDSWSUQBDEYCF-ZOBORPQBSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000336899010 170022255 /nfs/dbraw/zinc/02/22/55/170022255.db2.gz QXDSWSUQBDEYCF-ZOBORPQBSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000328526657 170022294 /nfs/dbraw/zinc/02/22/94/170022294.db2.gz URFXFEJOHVXOQK-ZOBORPQBSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000328526657 170022296 /nfs/dbraw/zinc/02/22/96/170022296.db2.gz URFXFEJOHVXOQK-ZOBORPQBSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000328221134 170023042 /nfs/dbraw/zinc/02/30/42/170023042.db2.gz YNAFHMLVFUQQTA-SYQHCUMBSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000328221134 170023043 /nfs/dbraw/zinc/02/30/43/170023043.db2.gz YNAFHMLVFUQQTA-SYQHCUMBSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C)CCCC2)C1 ZINC000336779495 170029872 /nfs/dbraw/zinc/02/98/72/170029872.db2.gz OMEJVAWPHZYCAS-OLZOCXBDSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C)CCCC2)C1 ZINC000336779495 170029874 /nfs/dbraw/zinc/02/98/74/170029874.db2.gz OMEJVAWPHZYCAS-OLZOCXBDSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000336776757 170030324 /nfs/dbraw/zinc/03/03/24/170030324.db2.gz GOBZGWLUFJDPFT-OLZOCXBDSA-N 2 2 224.392 2.352 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000336776757 170030326 /nfs/dbraw/zinc/03/03/26/170030326.db2.gz GOBZGWLUFJDPFT-OLZOCXBDSA-N 2 2 224.392 2.352 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CC=CCC2)[C@@H](C)C1 ZINC000336776213 170035111 /nfs/dbraw/zinc/03/51/11/170035111.db2.gz FCWDIAMBPLHFQM-IHRRRGAJSA-N 2 2 222.376 2.273 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CC=CCC2)[C@@H](C)C1 ZINC000336776213 170035112 /nfs/dbraw/zinc/03/51/12/170035112.db2.gz FCWDIAMBPLHFQM-IHRRRGAJSA-N 2 2 222.376 2.273 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]CC2CCSCC2)[C@@H](C)C1 ZINC000309419803 170035324 /nfs/dbraw/zinc/03/53/24/170035324.db2.gz AKRMCUOWZKSCLU-AAEUAGOBSA-N 2 2 242.432 2.059 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000336761687 170036694 /nfs/dbraw/zinc/03/66/94/170036694.db2.gz NBAPERNKSXZUFC-NWDGAFQWSA-N 2 2 210.365 2.106 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000336761687 170036695 /nfs/dbraw/zinc/03/66/95/170036695.db2.gz NBAPERNKSXZUFC-NWDGAFQWSA-N 2 2 210.365 2.106 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC000309897290 170036755 /nfs/dbraw/zinc/03/67/55/170036755.db2.gz GIYHLHVRSARQJU-GXTWGEPZSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC000309897290 170036756 /nfs/dbraw/zinc/03/67/56/170036756.db2.gz GIYHLHVRSARQJU-GXTWGEPZSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000336776212 170038570 /nfs/dbraw/zinc/03/85/70/170038570.db2.gz FCWDIAMBPLHFQM-BFHYXJOUSA-N 2 2 222.376 2.273 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000336776212 170038572 /nfs/dbraw/zinc/03/85/72/170038572.db2.gz FCWDIAMBPLHFQM-BFHYXJOUSA-N 2 2 222.376 2.273 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000309061767 170039979 /nfs/dbraw/zinc/03/99/79/170039979.db2.gz XDESWJGQIHIEBE-TUAOUCFPSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000309061767 170039981 /nfs/dbraw/zinc/03/99/81/170039981.db2.gz XDESWJGQIHIEBE-TUAOUCFPSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H]2C)C1 ZINC000336763980 170040150 /nfs/dbraw/zinc/04/01/50/170040150.db2.gz PMFJRTVGBCFJQA-MROQNXINSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H]2C)C1 ZINC000336763980 170040149 /nfs/dbraw/zinc/04/01/49/170040149.db2.gz PMFJRTVGBCFJQA-MROQNXINSA-N 2 2 210.365 2.105 10 0 BEAELP CC[NH2+]C1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000053038396 170108442 /nfs/dbraw/zinc/10/84/42/170108442.db2.gz AMWKVBLOUOAKFB-UHFFFAOYSA-N 2 2 222.332 2.162 10 0 BEAELP CC[NH2+]CCC[N@H+](C)Cc1ccccc1OC ZINC000042442210 170112864 /nfs/dbraw/zinc/11/28/64/170112864.db2.gz QJBSQZUGPUIZJC-UHFFFAOYSA-N 2 2 236.359 2.127 10 0 BEAELP CC[NH2+]CCC[N@@H+](C)Cc1ccccc1OC ZINC000042442210 170112866 /nfs/dbraw/zinc/11/28/66/170112866.db2.gz QJBSQZUGPUIZJC-UHFFFAOYSA-N 2 2 236.359 2.127 10 0 BEAELP CC[NH2+]CC[N@H+](CC)Cc1cccc(OC)c1 ZINC000034417127 170113282 /nfs/dbraw/zinc/11/32/82/170113282.db2.gz GOGAPEUHHXUVNQ-UHFFFAOYSA-N 2 2 236.359 2.127 10 0 BEAELP CC[NH2+]CC[N@@H+](CC)Cc1cccc(OC)c1 ZINC000034417127 170113284 /nfs/dbraw/zinc/11/32/84/170113284.db2.gz GOGAPEUHHXUVNQ-UHFFFAOYSA-N 2 2 236.359 2.127 10 0 BEAELP CC[NH2+]CCc1[nH]c2ccc(CC)cc2[nH+]1 ZINC000071743223 170117995 /nfs/dbraw/zinc/11/79/95/170117995.db2.gz FVCMFMIYNAPTSR-UHFFFAOYSA-N 2 2 217.316 2.277 10 0 BEAELP CC[NH2+]C[C@H](C)C[NH+]1Cc2ccccc2C1 ZINC000052374284 170121714 /nfs/dbraw/zinc/12/17/14/170121714.db2.gz BWVKMBDPSSETLN-LBPRGKRZSA-N 2 2 218.344 2.248 10 0 BEAELP CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000050585127 170126115 /nfs/dbraw/zinc/12/61/15/170126115.db2.gz QLLRGZGZLFNFND-UHFFFAOYSA-N 2 2 215.300 2.290 10 0 BEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(OC)cc1 ZINC000035570395 170146339 /nfs/dbraw/zinc/14/63/39/170146339.db2.gz FVWBZPPPKMTZOV-ZDUSSCGKSA-N 2 2 245.326 2.312 10 0 BEAELP CC[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000063033844 170146888 /nfs/dbraw/zinc/14/68/88/170146888.db2.gz VTGBXRYZXUUPIE-ZDUSSCGKSA-N 2 2 229.327 2.313 10 0 BEAELP CC[NH2+][C@@H]1CCCC[C@@H]1[NH+]1CCCCC1 ZINC000043814327 170150696 /nfs/dbraw/zinc/15/06/96/170150696.db2.gz GJAQJOSYRKSZPW-OLZOCXBDSA-N 2 2 210.365 2.393 10 0 BEAELP CC[NH2+][C@@H]1CCCCC[C@H]1n1cc[nH+]c1 ZINC000043992903 170151007 /nfs/dbraw/zinc/15/10/07/170151007.db2.gz WNIQRWVHPINLPW-VXGBXAGGSA-N 2 2 207.321 2.366 10 0 BEAELP CC[NH2+][C@H](C)[C@@H](C)[NH+]1CCC(C)(C)CC1 ZINC000061819760 170158281 /nfs/dbraw/zinc/15/82/81/170158281.db2.gz WTRLLOAURGPWPF-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000035570351 170162894 /nfs/dbraw/zinc/16/28/94/170162894.db2.gz ZHFXMHUWQGOJAN-GFCCVEGCSA-N 2 2 233.290 2.442 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+](Cc2cccc(C)n2)C[C@@H]1C ZINC000051576619 170167425 /nfs/dbraw/zinc/16/74/25/170167425.db2.gz JBLUEGRQVQNNIL-WFASDCNBSA-N 2 2 247.386 2.210 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+](Cc2cccc(C)n2)C[C@@H]1C ZINC000051576619 170167426 /nfs/dbraw/zinc/16/74/26/170167426.db2.gz JBLUEGRQVQNNIL-WFASDCNBSA-N 2 2 247.386 2.210 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000051631924 170168060 /nfs/dbraw/zinc/16/80/60/170168060.db2.gz BTCMJYJQUUSQSG-JKSUJKDBSA-N 2 2 244.382 2.228 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000051631924 170168062 /nfs/dbraw/zinc/16/80/62/170168062.db2.gz BTCMJYJQUUSQSG-JKSUJKDBSA-N 2 2 244.382 2.228 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)CCc2ccco2)C1 ZINC000049568575 170168109 /nfs/dbraw/zinc/16/81/09/170168109.db2.gz JPDQVIHIVRLHHD-STQMWFEESA-N 2 2 236.359 2.285 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)CCc2ccco2)C1 ZINC000049568575 170168111 /nfs/dbraw/zinc/16/81/11/170168111.db2.gz JPDQVIHIVRLHHD-STQMWFEESA-N 2 2 236.359 2.285 10 0 BEAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000336770808 170900223 /nfs/dbraw/zinc/90/02/23/170900223.db2.gz VYLRVWBIKZTKCF-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000336770808 170900225 /nfs/dbraw/zinc/90/02/25/170900225.db2.gz VYLRVWBIKZTKCF-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000210089046 171010573 /nfs/dbraw/zinc/01/05/73/171010573.db2.gz GBPGETNVVNFQHR-KGLIPLIRSA-N 2 2 218.344 2.246 10 0 BEAELP CC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000210089046 171010577 /nfs/dbraw/zinc/01/05/77/171010577.db2.gz GBPGETNVVNFQHR-KGLIPLIRSA-N 2 2 218.344 2.246 10 0 BEAELP CC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)CC[NH2+]1 ZINC000049661661 171012548 /nfs/dbraw/zinc/01/25/48/171012548.db2.gz RBSNIDZXTQXXDQ-CQSZACIVSA-N 2 2 236.334 2.400 10 0 BEAELP CC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)CC[NH2+]1 ZINC000049661661 171012549 /nfs/dbraw/zinc/01/25/49/171012549.db2.gz RBSNIDZXTQXXDQ-CQSZACIVSA-N 2 2 236.334 2.400 10 0 BEAELP CC[C@@H]1CC[N@@H+]([C@@H](C)c2cccnc2)CC[NH2+]1 ZINC000049662157 171014708 /nfs/dbraw/zinc/01/47/08/171014708.db2.gz SBSKALSJNYOWMS-GXTWGEPZSA-N 2 2 233.359 2.217 10 0 BEAELP CC[C@@H]1CC[N@H+]([C@@H](C)c2cccnc2)CC[NH2+]1 ZINC000049662157 171014710 /nfs/dbraw/zinc/01/47/10/171014710.db2.gz SBSKALSJNYOWMS-GXTWGEPZSA-N 2 2 233.359 2.217 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000336680689 171045354 /nfs/dbraw/zinc/04/53/54/171045354.db2.gz CWCNAWPSOTUFDZ-MQYQWHSLSA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000336680689 171045355 /nfs/dbraw/zinc/04/53/55/171045355.db2.gz CWCNAWPSOTUFDZ-MQYQWHSLSA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@@]1([NH3+])CC=C([NH3+])C=C1c1ccccc1 ZINC000100260249 171212884 /nfs/dbraw/zinc/21/28/84/171212884.db2.gz LBFMLNQGRLQAJP-CQSZACIVSA-N 2 2 214.312 2.424 10 0 BEAELP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@@H+]1CCO[C@H](C)C1 ZINC000034689294 171296618 /nfs/dbraw/zinc/29/66/18/171296618.db2.gz LSGKDXYNRSPVHQ-MJBXVCDLSA-N 2 2 242.407 2.251 10 0 BEAELP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@H+]1CCO[C@H](C)C1 ZINC000034689294 171296619 /nfs/dbraw/zinc/29/66/19/171296619.db2.gz LSGKDXYNRSPVHQ-MJBXVCDLSA-N 2 2 242.407 2.251 10 0 BEAELP CC[C@H](C)[N@H+](CC[NH3+])Cc1ccccc1F ZINC000032014858 171313635 /nfs/dbraw/zinc/31/36/35/171313635.db2.gz XNUQFWJJXFEXRD-NSHDSACASA-N 2 2 224.323 2.385 10 0 BEAELP CC[C@H](C)[N@@H+](CC[NH3+])Cc1ccccc1F ZINC000032014858 171313637 /nfs/dbraw/zinc/31/36/37/171313637.db2.gz XNUQFWJJXFEXRD-NSHDSACASA-N 2 2 224.323 2.385 10 0 BEAELP CC[C@H](C)[C@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000037227982 171392181 /nfs/dbraw/zinc/39/21/81/171392181.db2.gz QTPZBRXKVSMOBH-JQWIXIFHSA-N 2 2 238.400 2.480 10 0 BEAELP CC[C@H](C)[C@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000037227982 171392182 /nfs/dbraw/zinc/39/21/82/171392182.db2.gz QTPZBRXKVSMOBH-JQWIXIFHSA-N 2 2 238.400 2.480 10 0 BEAELP CC[C@H](C)[C@H]([NH3+])C[NH+]1CCC(C)(C)CC1 ZINC000061822623 171396714 /nfs/dbraw/zinc/39/67/14/171396714.db2.gz VQBJGTZYSDBTLI-NWDGAFQWSA-N 2 2 212.381 2.482 10 0 BEAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CCc2ccccc2C1 ZINC000019852497 171397040 /nfs/dbraw/zinc/39/70/40/171397040.db2.gz BJIGXIJBLGDALS-SWLSCSKDSA-N 2 2 232.371 2.418 10 0 BEAELP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CCc2ccccc2C1 ZINC000019852497 171397041 /nfs/dbraw/zinc/39/70/41/171397041.db2.gz BJIGXIJBLGDALS-SWLSCSKDSA-N 2 2 232.371 2.418 10 0 BEAELP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000309928624 172396349 /nfs/dbraw/zinc/39/63/49/172396349.db2.gz WUSMWLNVMGGBIO-RYUDHWBXSA-N 2 2 230.371 2.445 10 0 BEAELP C[NH2+]C1CC[NH+]([C@@H](C)c2ccco2)CC1 ZINC000035739391 173324345 /nfs/dbraw/zinc/32/43/45/173324345.db2.gz WDLKBNSWKLZEQG-JTQLQIEISA-N 2 2 208.305 2.024 10 0 BEAELP C[NH2+]CCc1[nH+]c2cc(OC)ccc2n1C1CC1 ZINC000076040123 173361438 /nfs/dbraw/zinc/36/14/38/173361438.db2.gz HWTKCYXYUCSOIN-UHFFFAOYSA-N 2 2 245.326 2.142 10 0 BEAELP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCc1cccs1 ZINC000019933382 173369138 /nfs/dbraw/zinc/36/91/38/173369138.db2.gz TUOQPUUEAFSXMZ-LBPRGKRZSA-N 2 2 238.400 2.365 10 0 BEAELP C[NH2+]C[C@@H]1CCC[N@H+]1CCCc1cccs1 ZINC000019933382 173369140 /nfs/dbraw/zinc/36/91/40/173369140.db2.gz TUOQPUUEAFSXMZ-LBPRGKRZSA-N 2 2 238.400 2.365 10 0 BEAELP C[NH2+]C[C@H]1CCCC[N@@H+]1CCOc1ccccc1 ZINC000043458245 173377812 /nfs/dbraw/zinc/37/78/12/173377812.db2.gz FODKTDRLLIEVLP-CQSZACIVSA-N 2 2 248.370 2.139 10 0 BEAELP C[NH2+]C[C@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC000043458245 173377813 /nfs/dbraw/zinc/37/78/13/173377813.db2.gz FODKTDRLLIEVLP-CQSZACIVSA-N 2 2 248.370 2.139 10 0 BEAELP C[NH2+]Cc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000052376799 173395827 /nfs/dbraw/zinc/39/58/27/173395827.db2.gz UZEDFZQMYVLFPH-UHFFFAOYSA-N 2 2 239.388 2.094 10 0 BEAELP C[NH2+]Cc1occc1C[N@H+](C)Cc1ccccn1 ZINC000052478809 173399587 /nfs/dbraw/zinc/39/95/87/173399587.db2.gz JIJXMUIETLWYDC-UHFFFAOYSA-N 2 2 245.326 2.026 10 0 BEAELP C[NH2+]Cc1occc1C[N@@H+](C)Cc1ccccn1 ZINC000052478809 173399589 /nfs/dbraw/zinc/39/95/89/173399589.db2.gz JIJXMUIETLWYDC-UHFFFAOYSA-N 2 2 245.326 2.026 10 0 BEAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccc(C)cc1 ZINC000035503562 173453565 /nfs/dbraw/zinc/45/35/65/173453565.db2.gz OPEGCQFHLVLRFT-CYBMUJFWSA-N 2 2 229.327 2.091 10 0 BEAELP COCCC[N@H+](C)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000062029284 174220692 /nfs/dbraw/zinc/22/06/92/174220692.db2.gz GUATVCWFYCWGFW-OCCSQVGLSA-N 2 2 236.359 2.043 10 0 BEAELP COCCC[N@@H+](C)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000062029284 174220693 /nfs/dbraw/zinc/22/06/93/174220693.db2.gz GUATVCWFYCWGFW-OCCSQVGLSA-N 2 2 236.359 2.043 10 0 BEAELP COCC[N@H+]([C@H](C[NH3+])c1cccc(C)c1)C1CC1 ZINC000042517937 174284573 /nfs/dbraw/zinc/28/45/73/174284573.db2.gz VEQROEUAPKPGHB-OAHLLOKOSA-N 2 2 248.370 2.106 10 0 BEAELP COCC[N@@H+]([C@H](C[NH3+])c1cccc(C)c1)C1CC1 ZINC000042517937 174284574 /nfs/dbraw/zinc/28/45/74/174284574.db2.gz VEQROEUAPKPGHB-OAHLLOKOSA-N 2 2 248.370 2.106 10 0 BEAELP COCC[N@H+]([C@H](C[NH3+])c1ccccc1C)C1CC1 ZINC000042517933 174285452 /nfs/dbraw/zinc/28/54/52/174285452.db2.gz FVDLWOOHTKGSLK-OAHLLOKOSA-N 2 2 248.370 2.106 10 0 BEAELP COCC[N@@H+]([C@H](C[NH3+])c1ccccc1C)C1CC1 ZINC000042517933 174285453 /nfs/dbraw/zinc/28/54/53/174285453.db2.gz FVDLWOOHTKGSLK-OAHLLOKOSA-N 2 2 248.370 2.106 10 0 BEAELP COCC[N@H+]([C@H](C)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518143 174285612 /nfs/dbraw/zinc/28/56/12/174285612.db2.gz FVKNOARXDDTBTB-IUODEOHRSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@@H+]([C@H](C)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518143 174285613 /nfs/dbraw/zinc/28/56/13/174285613.db2.gz FVKNOARXDDTBTB-IUODEOHRSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@H+](C[C@@H]([NH3+])c1ccccc1C)C1CC1 ZINC000042518166 174297098 /nfs/dbraw/zinc/29/70/98/174297098.db2.gz IYLRTCXTFGZLNU-OAHLLOKOSA-N 2 2 248.370 2.106 10 0 BEAELP COCC[N@@H+](C[C@@H]([NH3+])c1ccccc1C)C1CC1 ZINC000042518166 174297101 /nfs/dbraw/zinc/29/71/01/174297101.db2.gz IYLRTCXTFGZLNU-OAHLLOKOSA-N 2 2 248.370 2.106 10 0 BEAELP COc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)C2CC2)cc1 ZINC000042960663 175193848 /nfs/dbraw/zinc/19/38/48/175193848.db2.gz HOYLQPRHMUUTMS-YGRLFVJLSA-N 2 2 234.343 2.178 10 0 BEAELP COc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)C2CC2)cc1 ZINC000042960663 175193849 /nfs/dbraw/zinc/19/38/49/175193849.db2.gz HOYLQPRHMUUTMS-YGRLFVJLSA-N 2 2 234.343 2.178 10 0 BEAELP COc1cccc([C@@H](C[NH3+])[N@H+](C)CC(C)C)c1 ZINC000020225828 175287424 /nfs/dbraw/zinc/28/74/24/175287424.db2.gz OZXXZQBSKJVQRY-CQSZACIVSA-N 2 2 236.359 2.283 10 0 BEAELP COc1cccc([C@@H](C[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000020225828 175287426 /nfs/dbraw/zinc/28/74/26/175287426.db2.gz OZXXZQBSKJVQRY-CQSZACIVSA-N 2 2 236.359 2.283 10 0 BEAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)CC1CC1 ZINC000043097799 175348876 /nfs/dbraw/zinc/34/88/76/175348876.db2.gz DRCUNDYVCOMRHP-IAQYHMDHSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC1CC1 ZINC000043097799 175348877 /nfs/dbraw/zinc/34/88/77/175348877.db2.gz DRCUNDYVCOMRHP-IAQYHMDHSA-N 2 2 248.370 2.425 10 0 BEAELP C[C@@H](C[NH2+]C1CCCCC1)n1cc[nH+]c1 ZINC000053520557 175730508 /nfs/dbraw/zinc/73/05/08/175730508.db2.gz CLBJMJYXBQVZES-NSHDSACASA-N 2 2 207.321 2.366 10 0 BEAELP C[C@@H](c1ccco1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539632 176033148 /nfs/dbraw/zinc/03/31/48/176033148.db2.gz CQYOUXHDTANJDL-WDEREUQCSA-N 2 2 208.305 2.154 10 0 BEAELP C[C@@H](c1ccco1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539632 176033150 /nfs/dbraw/zinc/03/31/50/176033150.db2.gz CQYOUXHDTANJDL-WDEREUQCSA-N 2 2 208.305 2.154 10 0 BEAELP C[C@@H](c1cccs1)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000043501413 176033632 /nfs/dbraw/zinc/03/36/32/176033632.db2.gz QYMSWJMQVBNDBN-WDEREUQCSA-N 2 2 224.373 2.493 10 0 BEAELP C[C@@H](c1cccs1)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000043501413 176033634 /nfs/dbraw/zinc/03/36/34/176033634.db2.gz QYMSWJMQVBNDBN-WDEREUQCSA-N 2 2 224.373 2.493 10 0 BEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2cccnc2)C1 ZINC000036771017 176133589 /nfs/dbraw/zinc/13/35/89/176133589.db2.gz HLWLDTCGRVYMLR-UKRRQHHQSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2cccnc2)C1 ZINC000036771017 176133591 /nfs/dbraw/zinc/13/35/91/176133591.db2.gz HLWLDTCGRVYMLR-UKRRQHHQSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CC[N@H+](Cc2csc(C[NH3+])n2)[C@H](C)C1 ZINC000052510108 176178133 /nfs/dbraw/zinc/17/81/33/176178133.db2.gz JQMQBIYQLBHYBB-NXEZZACHSA-N 2 2 239.388 2.222 10 0 BEAELP C[C@@H]1CC[N@@H+](Cc2csc(C[NH3+])n2)[C@H](C)C1 ZINC000052510108 176178135 /nfs/dbraw/zinc/17/81/35/176178135.db2.gz JQMQBIYQLBHYBB-NXEZZACHSA-N 2 2 239.388 2.222 10 0 BEAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCCCCCC2)CCO1 ZINC000019437574 176279651 /nfs/dbraw/zinc/27/96/51/176279651.db2.gz NLTHMPGYQRCJKV-CYBMUJFWSA-N 2 2 240.391 2.149 10 0 BEAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCCCCCC2)CCO1 ZINC000019437574 176279650 /nfs/dbraw/zinc/27/96/50/176279650.db2.gz NLTHMPGYQRCJKV-CYBMUJFWSA-N 2 2 240.391 2.149 10 0 BEAELP C[C@@H]1C[NH+]([C@@H](C[NH3+])C2CCCCC2)C[C@@H](C)O1 ZINC000022210907 176315594 /nfs/dbraw/zinc/31/55/94/176315594.db2.gz PAULONNZVSORPZ-BZPMIXESSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1C[N@H+]([C@@H](C[NH3+])C2CCCCC2)[C@H](C)CO1 ZINC000035783233 176316147 /nfs/dbraw/zinc/31/61/47/176316147.db2.gz QBVQBDBZKVHHGU-BZPMIXESSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])C2CCCCC2)[C@H](C)CO1 ZINC000035783233 176316148 /nfs/dbraw/zinc/31/61/48/176316148.db2.gz QBVQBDBZKVHHGU-BZPMIXESSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1C[N@@H+]([C@H](C[NH3+])CC(C)(C)C)CC(C)(C)O1 ZINC000061840018 176317980 /nfs/dbraw/zinc/31/79/80/176317980.db2.gz XDCNLAUDLNZSMB-NEPJUHHUSA-N 2 2 242.407 2.249 10 0 BEAELP C[C@@H]1C[N@H+]([C@H](C[NH3+])CC(C)(C)C)CC(C)(C)O1 ZINC000061840018 176317981 /nfs/dbraw/zinc/31/79/81/176317981.db2.gz XDCNLAUDLNZSMB-NEPJUHHUSA-N 2 2 242.407 2.249 10 0 BEAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)Cc1cccnc1 ZINC000036770987 177085573 /nfs/dbraw/zinc/08/55/73/177085573.db2.gz SOCLIGCQEAXWNE-ZFWWWQNUSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)Cc1cccnc1 ZINC000036770987 177085575 /nfs/dbraw/zinc/08/55/75/177085575.db2.gz SOCLIGCQEAXWNE-ZFWWWQNUSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@@H+]1CCCSCC1 ZINC000042443616 177090347 /nfs/dbraw/zinc/09/03/47/177090347.db2.gz DJCVHWGKHFTUOL-QWHCGFSZSA-N 2 2 242.432 2.333 10 0 BEAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@H+]1CCCSCC1 ZINC000042443616 177090348 /nfs/dbraw/zinc/09/03/48/177090348.db2.gz DJCVHWGKHFTUOL-QWHCGFSZSA-N 2 2 242.432 2.333 10 0 BEAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccccc2)C1 ZINC000042278822 177169670 /nfs/dbraw/zinc/16/96/70/177169670.db2.gz GLBLILZAPAZPKL-AAEUAGOBSA-N 2 2 204.317 2.028 10 0 BEAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2ccccc2)C1 ZINC000042278822 177169671 /nfs/dbraw/zinc/16/96/71/177169671.db2.gz GLBLILZAPAZPKL-AAEUAGOBSA-N 2 2 204.317 2.028 10 0 BEAELP C[C@@H]1C[N@@H+](CC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000020071806 177254862 /nfs/dbraw/zinc/25/48/62/177254862.db2.gz QWBQINSEJBQQOP-GUTXKFCHSA-N 2 2 248.370 2.186 10 0 BEAELP C[C@@H]1C[N@H+](CC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000020071806 177254864 /nfs/dbraw/zinc/25/48/64/177254864.db2.gz QWBQINSEJBQQOP-GUTXKFCHSA-N 2 2 248.370 2.186 10 0 BEAELP C[C@H]1C[NH2+]CC[N@@H+](C2(C)CCCCC2)C1 ZINC000045046681 177282564 /nfs/dbraw/zinc/28/25/64/177282564.db2.gz NMZHWCNDTDUUQU-LBPRGKRZSA-N 2 2 210.365 2.251 10 0 BEAELP C[C@H]1C[NH2+]CC[N@H+](C2(C)CCCCC2)C1 ZINC000045046681 177282565 /nfs/dbraw/zinc/28/25/65/177282565.db2.gz NMZHWCNDTDUUQU-LBPRGKRZSA-N 2 2 210.365 2.251 10 0 BEAELP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000401795101 487832331 /nfs/dbraw/zinc/83/23/31/487832331.db2.gz YHIPBHHSVYZHFQ-SCRDCRAPSA-N 2 2 246.354 2.098 10 0 BEAELP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000050344423 487944363 /nfs/dbraw/zinc/94/43/63/487944363.db2.gz PSVSZUITJZZSOU-ZYHUDNBSSA-N 2 2 224.373 2.493 10 0 BEAELP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000050344423 487944368 /nfs/dbraw/zinc/94/43/68/487944368.db2.gz PSVSZUITJZZSOU-ZYHUDNBSSA-N 2 2 224.373 2.493 10 0 BEAELP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396727759 323655501 /nfs/dbraw/zinc/65/55/01/323655501.db2.gz ZMCPVRFARAPPNX-SGMGOOAPSA-N 2 2 248.370 2.486 10 0 BEAELP Cc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)c(C)[nH+]1 ZINC000136488850 488106055 /nfs/dbraw/zinc/10/60/55/488106055.db2.gz WUORZSDBBJFLAO-NSHDSACASA-N 2 2 235.331 2.010 10 0 BEAELP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000310675718 488187808 /nfs/dbraw/zinc/18/78/08/488187808.db2.gz JHRGAPPIPKEQSN-RISCZKNCSA-N 2 2 241.338 2.156 10 0 BEAELP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccnc2ccccc12 ZINC000310675718 488187813 /nfs/dbraw/zinc/18/78/13/488187813.db2.gz JHRGAPPIPKEQSN-RISCZKNCSA-N 2 2 241.338 2.156 10 0 BEAELP Cc1cc[nH+]cc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128037988 490568926 /nfs/dbraw/zinc/56/89/26/490568926.db2.gz MRTZNCSTGMNMGI-VXGBXAGGSA-N 2 2 219.332 2.285 10 0 BEAELP Cc1cc[nH+]cc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128037988 490568932 /nfs/dbraw/zinc/56/89/32/490568932.db2.gz MRTZNCSTGMNMGI-VXGBXAGGSA-N 2 2 219.332 2.285 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000226587804 535304764 /nfs/dbraw/zinc/30/47/64/535304764.db2.gz CDUJPAWRSSODBD-BFHYXJOUSA-N 2 2 242.407 2.120 10 0 BEAELP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000261988410 536156052 /nfs/dbraw/zinc/15/60/52/536156052.db2.gz SAJFMTMCXMPTFC-AWEZNQCLSA-N 2 2 248.370 2.181 10 0 BEAELP CCc1cc(OC)ccc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000261988410 536156055 /nfs/dbraw/zinc/15/60/55/536156055.db2.gz SAJFMTMCXMPTFC-AWEZNQCLSA-N 2 2 248.370 2.181 10 0 BEAELP C[NH2+][C@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538317 536412485 /nfs/dbraw/zinc/41/24/85/536412485.db2.gz ZQYWUYRWQXWURQ-NEPJUHHUSA-N 2 2 246.345 2.496 10 0 BEAELP C[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538317 536412486 /nfs/dbraw/zinc/41/24/86/536412486.db2.gz ZQYWUYRWQXWURQ-NEPJUHHUSA-N 2 2 246.345 2.496 10 0 BEAELP CCCC[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000380211918 566341482 /nfs/dbraw/zinc/34/14/82/566341482.db2.gz ZJUGKILWNOMTLP-AVGNSLFASA-N 2 2 212.381 2.495 10 0 BEAELP CCCC[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000380211918 566341489 /nfs/dbraw/zinc/34/14/89/566341489.db2.gz ZJUGKILWNOMTLP-AVGNSLFASA-N 2 2 212.381 2.495 10 0 BEAELP C[C@@H]1C[NH2+][C@H](c2cccc3cc[nH]c32)[C@H]([NH3+])C1 ZINC000757220318 582563722 /nfs/dbraw/zinc/56/37/22/582563722.db2.gz YOXMHWNDIJVXBE-MRCXROJRSA-N 2 2 229.327 2.166 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@H]1[NH+]1CCC(C)(C)CC1 ZINC000396731719 583089341 /nfs/dbraw/zinc/08/93/41/583089341.db2.gz YYKXVXKYSOGLMP-NWDGAFQWSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH+]1CCC(C)(C)CC1 ZINC000396731720 583089550 /nfs/dbraw/zinc/08/95/50/583089550.db2.gz YYKXVXKYSOGLMP-RYUDHWBXSA-N 2 2 210.365 2.249 10 0 BEAELP CC(=O)c1ccc([C@@H]2CC[C@H]([NH3+])[C@H](C)[NH2+]2)cc1 ZINC000757213324 586439167 /nfs/dbraw/zinc/43/91/67/586439167.db2.gz JKLQUKCCCKSKJQ-HERUPUMHSA-N 2 2 232.327 2.030 10 0 BEAELP C[C@@H](C[NH2+][C@H]1CCCSC1)Cn1cc[nH+]c1 ZINC000134805628 591951455 /nfs/dbraw/zinc/95/14/55/591951455.db2.gz ZGIGVEFGTSLZKW-RYUDHWBXSA-N 2 2 239.388 2.004 10 0 BEAELP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cncc2ccccc21 ZINC000310747208 632931884 /nfs/dbraw/zinc/93/18/84/632931884.db2.gz HHAJDFPASKXRRY-ABAIWWIYSA-N 2 2 241.338 2.156 10 0 BEAELP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cncc2ccccc21 ZINC000310747208 632931892 /nfs/dbraw/zinc/93/18/92/632931892.db2.gz HHAJDFPASKXRRY-ABAIWWIYSA-N 2 2 241.338 2.156 10 0 BEAELP CCC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000328171736 633740725 /nfs/dbraw/zinc/74/07/25/633740725.db2.gz KHJHSDMCSGMJJL-HNNXBMFYSA-N 2 2 232.371 2.303 10 0 BEAELP CCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000328171736 633740733 /nfs/dbraw/zinc/74/07/33/633740733.db2.gz KHJHSDMCSGMJJL-HNNXBMFYSA-N 2 2 232.371 2.303 10 0 BEAELP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000053343465 634169023 /nfs/dbraw/zinc/16/90/23/634169023.db2.gz IBVQSDZFXLSRHA-NEPJUHHUSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000053343465 634169032 /nfs/dbraw/zinc/16/90/32/634169032.db2.gz IBVQSDZFXLSRHA-NEPJUHHUSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCSC(F)(F)F ZINC000123633639 641873502 /nfs/dbraw/zinc/87/35/02/641873502.db2.gz MLPGKLJNJYQEJN-SFYZADRCSA-N 2 2 242.310 2.051 10 0 BEAELP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCSC(F)(F)F ZINC000123633639 641873505 /nfs/dbraw/zinc/87/35/05/641873505.db2.gz MLPGKLJNJYQEJN-SFYZADRCSA-N 2 2 242.310 2.051 10 0 BEAELP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCSC(F)(F)F ZINC000123633893 641873690 /nfs/dbraw/zinc/87/36/90/641873690.db2.gz MLPGKLJNJYQEJN-YUMQZZPRSA-N 2 2 242.310 2.051 10 0 BEAELP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCSC(F)(F)F ZINC000123633893 641873695 /nfs/dbraw/zinc/87/36/95/641873695.db2.gz MLPGKLJNJYQEJN-YUMQZZPRSA-N 2 2 242.310 2.051 10 0 BEAELP C[N@@H+]1CCC[C@@H]1C[NH2+]CCc1ccc(F)cc1 ZINC000107787940 971817999 /nfs/dbraw/zinc/81/79/99/971817999.db2.gz PAAOJPGIKBLCRE-CQSZACIVSA-N 2 2 236.334 2.052 10 0 BEAELP C[N@H+]1CCC[C@@H]1C[NH2+]CCc1ccc(F)cc1 ZINC000107787940 971818001 /nfs/dbraw/zinc/81/80/01/971818001.db2.gz PAAOJPGIKBLCRE-CQSZACIVSA-N 2 2 236.334 2.052 10 0 BEAELP Cc1cc(C[C@@H]2CCCCC[NH2+]2)cc[nH+]1 ZINC000006792923 178055265 /nfs/dbraw/zinc/05/52/65/178055265.db2.gz WUZGNRMAWBTSDY-ZDUSSCGKSA-N 2 2 204.317 2.465 10 0 BEAELP Cc1cc(F)ccc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000083359988 178087601 /nfs/dbraw/zinc/08/76/01/178087601.db2.gz HHCMJEDUMJXCRD-UHFFFAOYSA-N 2 2 233.290 2.190 10 0 BEAELP Cc1cc(F)ccc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000083359988 178087602 /nfs/dbraw/zinc/08/76/02/178087602.db2.gz HHCMJEDUMJXCRD-UHFFFAOYSA-N 2 2 233.290 2.190 10 0 BEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)C(C)C ZINC000050578153 178091998 /nfs/dbraw/zinc/09/19/98/178091998.db2.gz IUPAXTUJFPGDFW-CYBMUJFWSA-N 2 2 224.323 2.474 10 0 BEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)C(C)C ZINC000050578153 178092000 /nfs/dbraw/zinc/09/20/00/178092000.db2.gz IUPAXTUJFPGDFW-CYBMUJFWSA-N 2 2 224.323 2.474 10 0 BEAELP Cc1cc([NH3+])ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049564606 178106453 /nfs/dbraw/zinc/10/64/53/178106453.db2.gz IVLWJMHMYRMZFS-ZIAGYGMSSA-N 2 2 231.343 2.226 10 0 BEAELP Cc1cc([NH3+])ccc1N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049564606 178106454 /nfs/dbraw/zinc/10/64/54/178106454.db2.gz IVLWJMHMYRMZFS-ZIAGYGMSSA-N 2 2 231.343 2.226 10 0 BEAELP Cc1cc(NC[C@@H](C)[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000038029310 178165412 /nfs/dbraw/zinc/16/54/12/178165412.db2.gz LBLPRQAMBXNUEQ-GFCCVEGCSA-N 2 2 248.374 2.380 10 0 BEAELP Cc1cc([C@H](C)[N@@H+]2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000041027911 178244185 /nfs/dbraw/zinc/24/41/85/178244185.db2.gz CZLQSHWQPNUKPV-JQWIXIFHSA-N 2 2 222.332 2.381 10 0 BEAELP Cc1cc([C@H](C)[N@H+]2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000041027911 178244186 /nfs/dbraw/zinc/24/41/86/178244186.db2.gz CZLQSHWQPNUKPV-JQWIXIFHSA-N 2 2 222.332 2.381 10 0 BEAELP Cc1cc([C@H](C)[N@@H+]2CCC[NH2+]CC2)c(C)o1 ZINC000038087017 178244236 /nfs/dbraw/zinc/24/42/36/178244236.db2.gz JWGNRGYJPQLOCH-NSHDSACASA-N 2 2 222.332 2.253 10 0 BEAELP Cc1cc([C@H](C)[N@H+]2CCC[NH2+]CC2)c(C)o1 ZINC000038087017 178244238 /nfs/dbraw/zinc/24/42/38/178244238.db2.gz JWGNRGYJPQLOCH-NSHDSACASA-N 2 2 222.332 2.253 10 0 BEAELP Cc1cc2[nH+]cn(CCC[NH3+])c2cc1C ZINC000019279505 178306227 /nfs/dbraw/zinc/30/62/27/178306227.db2.gz WZOTVEGHCFSGPC-UHFFFAOYSA-N 2 2 203.289 2.002 10 0 BEAELP Cc1[nH]c(CC[NH3+])[nH+]c1-c1ccc(C)cc1 ZINC000036876314 178334206 /nfs/dbraw/zinc/33/42/06/178334206.db2.gz IAXMCRXUNKPVGL-UHFFFAOYSA-N 2 2 215.300 2.195 10 0 BEAELP CC(C)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177101004 538951198 /nfs/dbraw/zinc/95/11/98/538951198.db2.gz ASXDNJZSWFIAJO-GFCCVEGCSA-N 2 2 207.321 2.004 10 0 BEAELP CC(C)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177101004 538951199 /nfs/dbraw/zinc/95/11/99/538951199.db2.gz ASXDNJZSWFIAJO-GFCCVEGCSA-N 2 2 207.321 2.004 10 0 BEAELP C[C@@H]1Cc2[nH+]cn(C[C@@H]3CCC[N@@H+]3C)c2C[C@@H]1C ZINC000386808674 398266306 /nfs/dbraw/zinc/26/63/06/398266306.db2.gz DDDWXXUPXSWYMI-AGIUHOORSA-N 2 2 247.386 2.348 10 0 BEAELP C[C@@H]1Cc2[nH+]cn(C[C@@H]3CCC[N@H+]3C)c2C[C@@H]1C ZINC000386808674 398266310 /nfs/dbraw/zinc/26/63/10/398266310.db2.gz DDDWXXUPXSWYMI-AGIUHOORSA-N 2 2 247.386 2.348 10 0 BEAELP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381769523 398271717 /nfs/dbraw/zinc/27/17/17/398271717.db2.gz YEWGKMSTPHZLEB-GHMZBOCLSA-N 2 2 232.318 2.106 10 0 BEAELP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381769523 398271719 /nfs/dbraw/zinc/27/17/19/398271719.db2.gz YEWGKMSTPHZLEB-GHMZBOCLSA-N 2 2 232.318 2.106 10 0 BEAELP CCC(CC)[NH2+]C[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000053496176 168388385 /nfs/dbraw/zinc/38/83/85/168388385.db2.gz WJTWPDVVZHDCRH-JSGCOSHPSA-N 2 2 242.407 2.264 10 0 BEAELP CCC(CC)[NH2+]C[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000053496176 168388386 /nfs/dbraw/zinc/38/83/86/168388386.db2.gz WJTWPDVVZHDCRH-JSGCOSHPSA-N 2 2 242.407 2.264 10 0 BEAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040671991 538972794 /nfs/dbraw/zinc/97/27/94/538972794.db2.gz UGZQQQIZBXQTIT-JSGCOSHPSA-N 2 2 248.370 2.440 10 0 BEAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671991 538972795 /nfs/dbraw/zinc/97/27/95/538972795.db2.gz UGZQQQIZBXQTIT-JSGCOSHPSA-N 2 2 248.370 2.440 10 0 BEAELP CCC(CC)[C@@H](C[NH3+])[N@H+](C)Cc1ccccn1 ZINC000036777138 168399121 /nfs/dbraw/zinc/39/91/21/168399121.db2.gz IKWJPDOQNFWNBE-CQSZACIVSA-N 2 2 235.375 2.277 10 0 BEAELP CCC(CC)[C@@H](C[NH3+])[N@@H+](C)Cc1ccccn1 ZINC000036777138 168399122 /nfs/dbraw/zinc/39/91/22/168399122.db2.gz IKWJPDOQNFWNBE-CQSZACIVSA-N 2 2 235.375 2.277 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000390549774 539026204 /nfs/dbraw/zinc/02/62/04/539026204.db2.gz OHJQRNJWXOMJKC-ZDEQEGDKSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000390549774 539026205 /nfs/dbraw/zinc/02/62/05/539026205.db2.gz OHJQRNJWXOMJKC-ZDEQEGDKSA-N 2 2 224.392 2.351 10 0 BEAELP Cc1[nH+]c(CCc2ccccc2)n2c1C[NH2+]CC2 ZINC000020444060 342985817 /nfs/dbraw/zinc/98/58/17/342985817.db2.gz OSNRCGFYYYVVTQ-UHFFFAOYSA-N 2 2 241.338 2.080 10 0 BEAELP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000400697997 529651258 /nfs/dbraw/zinc/65/12/58/529651258.db2.gz JNOGJQOYNDEYKS-AXFHLTTASA-N 2 2 239.388 2.182 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1ccccc1SC(F)(F)F ZINC000072201340 343069694 /nfs/dbraw/zinc/06/96/94/343069694.db2.gz ZENJBZAFZFWBKJ-ZETCQYMHSA-N 2 2 236.262 2.257 10 0 BEAELP C[C@@H]1Cc2ccsc2C2(CC[NH+](C)CC2)[NH2+]1 ZINC000584883873 343086802 /nfs/dbraw/zinc/08/68/02/343086802.db2.gz TYGRBWIKAGRAJY-SNVBAGLBSA-N 2 2 236.384 2.203 10 0 BEAELP CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000131384792 343183840 /nfs/dbraw/zinc/18/38/40/343183840.db2.gz VDAQOQAWXANPQA-AWEZNQCLSA-N 2 2 248.370 2.399 10 0 BEAELP CCCOc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000131384792 343183842 /nfs/dbraw/zinc/18/38/42/343183842.db2.gz VDAQOQAWXANPQA-AWEZNQCLSA-N 2 2 248.370 2.399 10 0 BEAELP CCSCC[NH2+]CCCCn1cc[nH+]c1 ZINC000128929933 343176178 /nfs/dbraw/zinc/17/61/78/343176178.db2.gz HXKPTYCZOHJOGK-UHFFFAOYSA-N 2 2 227.377 2.006 10 0 BEAELP CC(C)[C@H]([NH3+])C[N@@H+]1CCc2ccccc2C1 ZINC000019852441 187252951 /nfs/dbraw/zinc/25/29/51/187252951.db2.gz GFWINNOVARKZLO-CQSZACIVSA-N 2 2 218.344 2.028 10 0 BEAELP CC(C)[C@H]([NH3+])C[N@H+]1CCc2ccccc2C1 ZINC000019852441 187252953 /nfs/dbraw/zinc/25/29/53/187252953.db2.gz GFWINNOVARKZLO-CQSZACIVSA-N 2 2 218.344 2.028 10 0 BEAELP Cc1cc(N[C@@H]2CC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000042548075 187265311 /nfs/dbraw/zinc/26/53/11/187265311.db2.gz UMUJBMQPTLNRJV-LLVKDONJSA-N 2 2 234.347 2.024 10 0 BEAELP Cc1cc(N[C@@H]2CC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000042548075 187265313 /nfs/dbraw/zinc/26/53/13/187265313.db2.gz UMUJBMQPTLNRJV-LLVKDONJSA-N 2 2 234.347 2.024 10 0 BEAELP C[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000042545507 187266050 /nfs/dbraw/zinc/26/60/50/187266050.db2.gz WMSLPHJEMSCPJS-BLZCZZARSA-N 2 2 248.345 2.365 10 0 BEAELP C[N@H+]1CC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000042545507 187266052 /nfs/dbraw/zinc/26/60/52/187266052.db2.gz WMSLPHJEMSCPJS-BLZCZZARSA-N 2 2 248.345 2.365 10 0 BEAELP C[C@@H](c1cccs1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC000247722737 344386282 /nfs/dbraw/zinc/38/62/82/344386282.db2.gz BWCOTXLGXJMJTJ-UWVGGRQHSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H](c1cccs1)[N@H+]1CCC[C@H]1C[NH3+] ZINC000247722737 344386283 /nfs/dbraw/zinc/38/62/83/344386283.db2.gz BWCOTXLGXJMJTJ-UWVGGRQHSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H](c1ccsc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000224394085 344909800 /nfs/dbraw/zinc/90/98/00/344909800.db2.gz MAOQDTVHBUZJAM-GXSJLCMTSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H](c1ccsc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000224394085 344909801 /nfs/dbraw/zinc/90/98/01/344909801.db2.gz MAOQDTVHBUZJAM-GXSJLCMTSA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@H+](C)CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000159062144 345405928 /nfs/dbraw/zinc/40/59/28/345405928.db2.gz IHGGNPPSWKKXNE-CYBMUJFWSA-N 2 2 248.370 2.094 10 0 BEAELP CC[N@@H+](C)CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000159062144 345405931 /nfs/dbraw/zinc/40/59/31/345405931.db2.gz IHGGNPPSWKKXNE-CYBMUJFWSA-N 2 2 248.370 2.094 10 0 BEAELP C[C@@H]1CCCn2cc([C@@H]3CCC[NH2+]C3)[nH+]c21 ZINC000258432873 345783699 /nfs/dbraw/zinc/78/36/99/345783699.db2.gz OUYMBPRSKZKHEJ-GHMZBOCLSA-N 2 2 219.332 2.247 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCCSC1 ZINC000061588148 187360590 /nfs/dbraw/zinc/36/05/90/187360590.db2.gz MJZAIMVKMCPHAS-CHWSQXEVSA-N 2 2 244.448 2.448 10 0 BEAELP C/C=C\C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390721521 346314787 /nfs/dbraw/zinc/31/47/87/346314787.db2.gz NZDIURAFJNIMEO-GWQWAINWSA-N 2 2 230.355 2.427 10 0 BEAELP C/C=C\C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390721521 346314790 /nfs/dbraw/zinc/31/47/90/346314790.db2.gz NZDIURAFJNIMEO-GWQWAINWSA-N 2 2 230.355 2.427 10 0 BEAELP C/C=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390721522 346314959 /nfs/dbraw/zinc/31/49/59/346314959.db2.gz NZDIURAFJNIMEO-MPNWYJEXSA-N 2 2 230.355 2.427 10 0 BEAELP C/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390721522 346314963 /nfs/dbraw/zinc/31/49/63/346314963.db2.gz NZDIURAFJNIMEO-MPNWYJEXSA-N 2 2 230.355 2.427 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)C2CC2)c1C ZINC000043314550 179185580 /nfs/dbraw/zinc/18/55/80/179185580.db2.gz RSMQQFJFSCNKEU-CQSZACIVSA-N 2 2 218.344 2.397 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)C2CC2)c1C ZINC000043314550 179185581 /nfs/dbraw/zinc/18/55/81/179185581.db2.gz RSMQQFJFSCNKEU-CQSZACIVSA-N 2 2 218.344 2.397 10 0 BEAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+]2CCCOCC2)c1 ZINC000061914203 179187691 /nfs/dbraw/zinc/18/76/91/179187691.db2.gz UPOGXHKVUKWUOM-DZGCQCFKSA-N 2 2 248.370 2.106 10 0 BEAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@H+]2CCCOCC2)c1 ZINC000061914203 179187692 /nfs/dbraw/zinc/18/76/92/179187692.db2.gz UPOGXHKVUKWUOM-DZGCQCFKSA-N 2 2 248.370 2.106 10 0 BEAELP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]1[NH3+] ZINC000250239079 362797580 /nfs/dbraw/zinc/79/75/80/362797580.db2.gz PXAZIACTDRVCIK-GHMZBOCLSA-N 2 2 210.346 2.060 10 0 BEAELP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]1[NH3+] ZINC000250239079 362797584 /nfs/dbraw/zinc/79/75/84/362797584.db2.gz PXAZIACTDRVCIK-GHMZBOCLSA-N 2 2 210.346 2.060 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH3+])[C@H]1c1cccs1 ZINC000250321261 362799783 /nfs/dbraw/zinc/79/97/83/362799783.db2.gz NEZJWHGZSMWZQF-ONGXEEELSA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH3+])[C@H]1c1cccs1 ZINC000250321261 362799787 /nfs/dbraw/zinc/79/97/87/362799787.db2.gz NEZJWHGZSMWZQF-ONGXEEELSA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH3+])[C@H]1c1cccs1 ZINC000250321259 362799814 /nfs/dbraw/zinc/79/98/14/362799814.db2.gz NEZJWHGZSMWZQF-KOLCDFICSA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH3+])[C@H]1c1cccs1 ZINC000250321259 362799819 /nfs/dbraw/zinc/79/98/19/362799819.db2.gz NEZJWHGZSMWZQF-KOLCDFICSA-N 2 2 210.346 2.232 10 0 BEAELP Cc1ccccc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946339 179281163 /nfs/dbraw/zinc/28/11/63/179281163.db2.gz UVHIZHMZJVGRFC-UHFFFAOYSA-N 2 2 215.300 2.050 10 0 BEAELP Cc1ccccc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946339 179281165 /nfs/dbraw/zinc/28/11/65/179281165.db2.gz UVHIZHMZJVGRFC-UHFFFAOYSA-N 2 2 215.300 2.050 10 0 BEAELP Cc1ccccc1OCC[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC000104358843 179310405 /nfs/dbraw/zinc/31/04/05/179310405.db2.gz JNZQLTMFYULKHV-AWEZNQCLSA-N 2 2 248.370 2.058 10 0 BEAELP Cc1ccccc1OCC[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC000104358843 179310407 /nfs/dbraw/zinc/31/04/07/179310407.db2.gz JNZQLTMFYULKHV-AWEZNQCLSA-N 2 2 248.370 2.058 10 0 BEAELP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])n1cc[nH+]c1 ZINC000043037705 179327743 /nfs/dbraw/zinc/32/77/43/179327743.db2.gz WLXXXZSCKYTLDN-DGCLKSJQSA-N 2 2 215.300 2.128 10 0 BEAELP Cc1ccccc1[C@@H]([C@H](C)[NH3+])n1cc[nH+]c1 ZINC000043037710 179329188 /nfs/dbraw/zinc/32/91/88/179329188.db2.gz WLXXXZSCKYTLDN-WCQYABFASA-N 2 2 215.300 2.128 10 0 BEAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)CC1CC1 ZINC000020225464 179342309 /nfs/dbraw/zinc/34/23/09/179342309.db2.gz XLQYYBCBPTUUPF-AWEZNQCLSA-N 2 2 218.344 2.337 10 0 BEAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)CC1CC1 ZINC000020225464 179342310 /nfs/dbraw/zinc/34/23/10/179342310.db2.gz XLQYYBCBPTUUPF-AWEZNQCLSA-N 2 2 218.344 2.337 10 0 BEAELP Cc1cccnc1C[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000071340134 179382125 /nfs/dbraw/zinc/38/21/25/179382125.db2.gz ASKVRENCCULRHP-AWEZNQCLSA-N 2 2 247.386 2.354 10 0 BEAELP Cc1cccnc1C[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000071340134 179382127 /nfs/dbraw/zinc/38/21/27/179382127.db2.gz ASKVRENCCULRHP-AWEZNQCLSA-N 2 2 247.386 2.354 10 0 BEAELP Cc1ccc[nH+]c1N[C@@H](C)Cn1cc[nH+]c1 ZINC000051041103 179395193 /nfs/dbraw/zinc/39/51/93/179395193.db2.gz QHUJTPDGBNQTEC-NSHDSACASA-N 2 2 216.288 2.087 10 0 BEAELP C[C@@H]([NH3+])[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000162196147 362899320 /nfs/dbraw/zinc/89/93/20/362899320.db2.gz DQHUKOJCUHJLQD-YPMHNXCESA-N 2 2 241.338 2.408 10 0 BEAELP C[C@@H]([NH3+])[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000162195924 362899581 /nfs/dbraw/zinc/89/95/81/362899581.db2.gz DQHUKOJCUHJLQD-DGCLKSJQSA-N 2 2 241.338 2.408 10 0 BEAELP Cc1cc[nH+]cc1CCC[NH2+][C@H]1C[C@@H]1C ZINC000309139661 179478826 /nfs/dbraw/zinc/47/88/26/179478826.db2.gz STKTVSXPIOPULS-AAEUAGOBSA-N 2 2 204.317 2.321 10 0 BEAELP CCC(CC)[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 ZINC000616579119 349131246 /nfs/dbraw/zinc/13/12/46/349131246.db2.gz QXHXOXJWPAJNFL-ZDUSSCGKSA-N 2 2 222.376 2.391 10 0 BEAELP CCCC[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 ZINC000616580593 349258227 /nfs/dbraw/zinc/25/82/27/349258227.db2.gz YSBFENRTYOBBQL-GFCCVEGCSA-N 2 2 208.349 2.003 10 0 BEAELP CCn1cc[nH+]c1Cn1c(C)[nH+]c2c1CCCC2 ZINC000160738045 349315846 /nfs/dbraw/zinc/31/58/46/349315846.db2.gz KABWERUJCUNEFL-UHFFFAOYSA-N 2 2 244.342 2.335 10 0 BEAELP Cc1cn(C2(C[NH3+])CCC(F)(F)CC2)c[nH+]1 ZINC000217349679 350050694 /nfs/dbraw/zinc/05/06/94/350050694.db2.gz FVKXSVYSVJMYHW-UHFFFAOYSA-N 2 2 229.274 2.055 10 0 BEAELP Cc1nc(N[C@@H]2CCC[NH2+]C2)cc(C(C)C)[nH+]1 ZINC000045955244 180022062 /nfs/dbraw/zinc/02/20/62/180022062.db2.gz KNEHGQBFMWWELL-LLVKDONJSA-N 2 2 234.347 2.072 10 0 BEAELP Cc1nc(N[C@H]2CCC[NH2+]C2)cc(C(C)C)[nH+]1 ZINC000045955247 180025021 /nfs/dbraw/zinc/02/50/21/180025021.db2.gz KNEHGQBFMWWELL-NSHDSACASA-N 2 2 234.347 2.072 10 0 BEAELP Cc1[nH+]c2ccccc2n1CCCC[NH3+] ZINC000006188042 180104207 /nfs/dbraw/zinc/10/42/07/180104207.db2.gz DDUPJKYZRAEBKA-UHFFFAOYSA-N 2 2 203.289 2.084 10 0 BEAELP Cc1[nH+]cccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128062719 180227680 /nfs/dbraw/zinc/22/76/80/180227680.db2.gz WWMSYRVMYFQVHR-QWHCGFSZSA-N 2 2 231.343 2.429 10 0 BEAELP Cc1[nH+]cccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128062719 180227681 /nfs/dbraw/zinc/22/76/81/180227681.db2.gz WWMSYRVMYFQVHR-QWHCGFSZSA-N 2 2 231.343 2.429 10 0 BEAELP COc1ccccc1[C@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000616603082 350789345 /nfs/dbraw/zinc/78/93/45/350789345.db2.gz ASHXIAXBERZYGY-ZDUSSCGKSA-N 2 2 248.370 2.223 10 0 BEAELP COc1ccccc1[C@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000616603082 350789346 /nfs/dbraw/zinc/78/93/46/350789346.db2.gz ASHXIAXBERZYGY-ZDUSSCGKSA-N 2 2 248.370 2.223 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccc2cnccc2c1 ZINC000616608255 350804334 /nfs/dbraw/zinc/80/43/34/350804334.db2.gz QNIJBTVGMXWHEC-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H]1c1ccc2cnccc2c1 ZINC000616608255 350804337 /nfs/dbraw/zinc/80/43/37/350804337.db2.gz QNIJBTVGMXWHEC-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cccc2cccnc21 ZINC000616608496 350804404 /nfs/dbraw/zinc/80/44/04/350804404.db2.gz UHMIXKAVDBSXRD-CQSZACIVSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1cccc2cccnc21 ZINC000616608496 350804406 /nfs/dbraw/zinc/80/44/06/350804406.db2.gz UHMIXKAVDBSXRD-CQSZACIVSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccc2ccccc2n1 ZINC000616608488 350804424 /nfs/dbraw/zinc/80/44/24/350804424.db2.gz UENPJUYQRRDUIK-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccc2ccccc2n1 ZINC000616608488 350804427 /nfs/dbraw/zinc/80/44/27/350804427.db2.gz UENPJUYQRRDUIK-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP CNc1cccc([C@H]2CCCC[N@@H+]2CC[NH3+])c1 ZINC000616614411 350832727 /nfs/dbraw/zinc/83/27/27/350832727.db2.gz DWYOSRKLVVIBRW-CQSZACIVSA-N 2 2 233.359 2.214 10 0 BEAELP CNc1cccc([C@H]2CCCC[N@H+]2CC[NH3+])c1 ZINC000616614411 350832731 /nfs/dbraw/zinc/83/27/31/350832731.db2.gz DWYOSRKLVVIBRW-CQSZACIVSA-N 2 2 233.359 2.214 10 0 BEAELP Cc1[nH+]ccn1-c1cc[nH+]cc1Br ZINC000159968323 351146139 /nfs/dbraw/zinc/14/61/39/351146139.db2.gz OVDWGQAEBHPAMY-UHFFFAOYSA-N 2 2 238.088 2.338 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000307727970 353115259 /nfs/dbraw/zinc/11/52/59/353115259.db2.gz GJQFDJZYVCMCTD-JSGCOSHPSA-N 2 2 218.344 2.259 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000307727970 353115262 /nfs/dbraw/zinc/11/52/62/353115262.db2.gz GJQFDJZYVCMCTD-JSGCOSHPSA-N 2 2 218.344 2.259 10 0 BEAELP CC(C)C[C@H](C)[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000019946642 188004963 /nfs/dbraw/zinc/00/49/63/188004963.db2.gz RKMZQTBJYNFYJA-AAEUAGOBSA-N 2 2 210.365 2.105 10 0 BEAELP CC1CCC(C[NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000084339333 538113858 /nfs/dbraw/zinc/11/38/58/538113858.db2.gz INJUDPZUGLNEBE-RUXDESIVSA-N 2 2 224.392 2.497 10 0 BEAELP CC1CCC(C[NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000084339333 538113859 /nfs/dbraw/zinc/11/38/59/538113859.db2.gz INJUDPZUGLNEBE-RUXDESIVSA-N 2 2 224.392 2.497 10 0 BEAELP CC(C)(c1ccccc1)[C@@H]([NH3+])Cc1[nH]cc[nH+]1 ZINC000036946768 188286489 /nfs/dbraw/zinc/28/64/89/188286489.db2.gz FSDGAHCPDZQSKJ-LBPRGKRZSA-N 2 2 229.327 2.257 10 0 BEAELP Cc1cccc2[nH+]c(CC[NH2+]C(C)C)[nH]c21 ZINC000043598587 188295471 /nfs/dbraw/zinc/29/54/71/188295471.db2.gz AFQBESRFBMCMBC-UHFFFAOYSA-N 2 2 217.316 2.412 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000336697954 188337128 /nfs/dbraw/zinc/33/71/28/188337128.db2.gz JAPFNEWCROJBST-MJBXVCDLSA-N 2 2 242.407 2.120 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073486 188351449 /nfs/dbraw/zinc/35/14/49/188351449.db2.gz PFEXFQONOYGOKR-FRRDWIJNSA-N 2 2 212.381 2.338 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073486 188351451 /nfs/dbraw/zinc/35/14/51/188351451.db2.gz PFEXFQONOYGOKR-FRRDWIJNSA-N 2 2 212.381 2.338 10 0 BEAELP C[C@H]1CCC[C@@H]([NH2+][C@@H]2C[NH+]3CCC2CC3)C1 ZINC000019946237 188351615 /nfs/dbraw/zinc/35/16/15/188351615.db2.gz QKXDVYJIQBTSKB-IACUBPJLSA-N 2 2 222.376 2.249 10 0 BEAELP CC(C)C[C@@H]1C[N@H+](CC(C)C)CCC[NH2+]1 ZINC000062571061 188360369 /nfs/dbraw/zinc/36/03/69/188360369.db2.gz UQHJUEAMHZDBKJ-CYBMUJFWSA-N 2 2 212.381 2.352 10 0 BEAELP CC(C)C[C@@H]1C[N@@H+](CC(C)C)CCC[NH2+]1 ZINC000062571061 188360371 /nfs/dbraw/zinc/36/03/71/188360371.db2.gz UQHJUEAMHZDBKJ-CYBMUJFWSA-N 2 2 212.381 2.352 10 0 BEAELP C[C@H]1CCC[N@@H+]1[C@H](C[NH3+])c1cccs1 ZINC000252215993 363221234 /nfs/dbraw/zinc/22/12/34/363221234.db2.gz XROIELXLESQYES-VHSXEESVSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H]1CCC[N@H+]1[C@H](C[NH3+])c1cccs1 ZINC000252215993 363221238 /nfs/dbraw/zinc/22/12/38/363221238.db2.gz XROIELXLESQYES-VHSXEESVSA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000389180668 355763551 /nfs/dbraw/zinc/76/35/51/355763551.db2.gz QHVWLFVHRUBEMP-OLZOCXBDSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000389180668 355763552 /nfs/dbraw/zinc/76/35/52/355763552.db2.gz QHVWLFVHRUBEMP-OLZOCXBDSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC000389192281 355834958 /nfs/dbraw/zinc/83/49/58/355834958.db2.gz VRAOCRDOBBSDLD-CQSZACIVSA-N 2 2 236.334 2.318 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC000389192281 355834962 /nfs/dbraw/zinc/83/49/62/355834962.db2.gz VRAOCRDOBBSDLD-CQSZACIVSA-N 2 2 236.334 2.318 10 0 BEAELP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000257588512 538737490 /nfs/dbraw/zinc/73/74/90/538737490.db2.gz YDXVZAXBJZIPGH-RYUDHWBXSA-N 2 2 224.735 2.434 10 0 BEAELP C[N@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000257588512 538737494 /nfs/dbraw/zinc/73/74/94/538737494.db2.gz YDXVZAXBJZIPGH-RYUDHWBXSA-N 2 2 224.735 2.434 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000389540752 356986110 /nfs/dbraw/zinc/98/61/10/356986110.db2.gz KFADBHDOJRRAHR-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000389540752 356986114 /nfs/dbraw/zinc/98/61/14/356986114.db2.gz KFADBHDOJRRAHR-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000389545596 356986874 /nfs/dbraw/zinc/98/68/74/356986874.db2.gz LYJPZKVNPJGQTN-CQSZACIVSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000389545596 356986876 /nfs/dbraw/zinc/98/68/76/356986876.db2.gz LYJPZKVNPJGQTN-CQSZACIVSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000389551252 356987890 /nfs/dbraw/zinc/98/78/90/356987890.db2.gz OVHOWCZRKPAWNH-CQSZACIVSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000389551252 356987893 /nfs/dbraw/zinc/98/78/93/356987893.db2.gz OVHOWCZRKPAWNH-CQSZACIVSA-N 2 2 243.354 2.352 10 0 BEAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C1CC1 ZINC000130663017 358638194 /nfs/dbraw/zinc/63/81/94/358638194.db2.gz FZSCZHWAJIUTMJ-FPMFFAJLSA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C)C1CC1 ZINC000130663017 358638198 /nfs/dbraw/zinc/63/81/98/358638198.db2.gz FZSCZHWAJIUTMJ-FPMFFAJLSA-N 2 2 224.392 2.493 10 0 BEAELP COCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246507788 359138916 /nfs/dbraw/zinc/13/89/16/359138916.db2.gz TUNWCQQCAMBLFJ-HZSPNIEDSA-N 2 2 242.407 2.120 10 0 BEAELP COCCC[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246507788 359138920 /nfs/dbraw/zinc/13/89/20/359138920.db2.gz TUNWCQQCAMBLFJ-HZSPNIEDSA-N 2 2 242.407 2.120 10 0 BEAELP CC[C@H](C)C[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000093066662 360213300 /nfs/dbraw/zinc/21/33/00/360213300.db2.gz IEOQKEFEHSHTPG-CMPLNLGQSA-N 2 2 221.348 2.142 10 0 BEAELP Cc1ccsc1[C@H]1[C@@H]([NH3+])CCC[N@H+]1C ZINC000069798602 360558364 /nfs/dbraw/zinc/55/83/64/360558364.db2.gz YEJWTMZVXQDRQE-VHSXEESVSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccsc1[C@H]1[C@@H]([NH3+])CCC[N@@H+]1C ZINC000069798602 360558368 /nfs/dbraw/zinc/55/83/68/360558368.db2.gz YEJWTMZVXQDRQE-VHSXEESVSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccsc1[C@@H]1[C@@H]([NH3+])CCC[N@H+]1C ZINC000069798599 360558490 /nfs/dbraw/zinc/55/84/90/360558490.db2.gz YEJWTMZVXQDRQE-UWVGGRQHSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccsc1[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1C ZINC000069798599 360558495 /nfs/dbraw/zinc/55/84/95/360558495.db2.gz YEJWTMZVXQDRQE-UWVGGRQHSA-N 2 2 210.346 2.151 10 0 BEAELP CCn1cc[nH+]c1-c1csc(C[NH3+])c1 ZINC000070601162 361583737 /nfs/dbraw/zinc/58/37/37/361583737.db2.gz ZLVVCNVHVPNGNA-UHFFFAOYSA-N 2 2 207.302 2.090 10 0 BEAELP [NH3+]C[C@@H](c1ccccc1Cl)n1cc[nH+]c1 ZINC000043053053 181426131 /nfs/dbraw/zinc/42/61/31/181426131.db2.gz HMGNFIFYLUMOOE-NSHDSACASA-N 2 2 221.691 2.085 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384501092 367694172 /nfs/dbraw/zinc/69/41/72/367694172.db2.gz CKJAHLIZIPEMBT-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384501092 367694177 /nfs/dbraw/zinc/69/41/77/367694177.db2.gz CKJAHLIZIPEMBT-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@]1(C[NH2+]Cc2ccccc2)CCC[NH2+]1 ZINC000215403090 370958028 /nfs/dbraw/zinc/95/80/28/370958028.db2.gz SUSNJMHBPHAWAB-AWEZNQCLSA-N 2 2 218.344 2.308 10 0 BEAELP CCOc1cccc([C@@H](C[NH3+])[NH+](CC)CC)c1 ZINC000038970641 372839020 /nfs/dbraw/zinc/83/90/20/372839020.db2.gz NZDYMNKPIAFDSM-CQSZACIVSA-N 2 2 236.359 2.427 10 0 BEAELP Cc1cc([C@@H]2[C@H]([NH3+])CC[N@H+]2C)c(C)s1 ZINC000069799063 373807150 /nfs/dbraw/zinc/80/71/50/373807150.db2.gz CSXFVOZKOIPULA-GHMZBOCLSA-N 2 2 210.346 2.069 10 0 BEAELP Cc1cc([C@@H]2[C@H]([NH3+])CC[N@@H+]2C)c(C)s1 ZINC000069799063 373807156 /nfs/dbraw/zinc/80/71/56/373807156.db2.gz CSXFVOZKOIPULA-GHMZBOCLSA-N 2 2 210.346 2.069 10 0 BEAELP Cc1cc([C@H]2[C@H]([NH3+])CC[N@H+]2C)c(C)s1 ZINC000069799065 373807709 /nfs/dbraw/zinc/80/77/09/373807709.db2.gz CSXFVOZKOIPULA-MNOVXSKESA-N 2 2 210.346 2.069 10 0 BEAELP Cc1cc([C@H]2[C@H]([NH3+])CC[N@@H+]2C)c(C)s1 ZINC000069799065 373807714 /nfs/dbraw/zinc/80/77/14/373807714.db2.gz CSXFVOZKOIPULA-MNOVXSKESA-N 2 2 210.346 2.069 10 0 BEAELP C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000042975095 374314389 /nfs/dbraw/zinc/31/43/89/374314389.db2.gz UXYJAUSHLNYSMD-KWQFWETISA-N 2 2 212.724 2.290 10 0 BEAELP CCC[N@H+](C)[C@@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043097186 169086107 /nfs/dbraw/zinc/08/61/07/169086107.db2.gz IOSKWPCLXFTBKM-BXUZGUMPSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[N@@H+](C)[C@@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043097186 169086110 /nfs/dbraw/zinc/08/61/10/169086110.db2.gz IOSKWPCLXFTBKM-BXUZGUMPSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[N@H+](C)[C@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043097188 169088324 /nfs/dbraw/zinc/08/83/24/169088324.db2.gz IOSKWPCLXFTBKM-RISCZKNCSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[N@@H+](C)[C@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043097188 169088326 /nfs/dbraw/zinc/08/83/26/169088326.db2.gz IOSKWPCLXFTBKM-RISCZKNCSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297366 169205319 /nfs/dbraw/zinc/20/53/19/169205319.db2.gz BQJDAAQJCZJNAG-HNNXBMFYSA-N 2 2 247.386 2.245 10 0 BEAELP CCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297366 169205320 /nfs/dbraw/zinc/20/53/20/169205320.db2.gz BQJDAAQJCZJNAG-HNNXBMFYSA-N 2 2 247.386 2.245 10 0 BEAELP CCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297366 169205323 /nfs/dbraw/zinc/20/53/23/169205323.db2.gz BQJDAAQJCZJNAG-HNNXBMFYSA-N 2 2 247.386 2.245 10 0 BEAELP CCC[NH+]1CCC([NH3+])(c2nc(C)cs2)CC1 ZINC000041059736 169186957 /nfs/dbraw/zinc/18/69/57/169186957.db2.gz MBALNHLDFFQVIS-UHFFFAOYSA-N 2 2 239.388 2.111 10 0 BEAELP CCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195297366 169205325 /nfs/dbraw/zinc/20/53/25/169205325.db2.gz BQJDAAQJCZJNAG-HNNXBMFYSA-N 2 2 247.386 2.245 10 0 BEAELP c1c[nH+]c(Cc2ccc(-c3[nH]cc[nH+]3)cc2)[nH]1 ZINC000089202729 183327933 /nfs/dbraw/zinc/32/79/33/183327933.db2.gz RZTJNECSBWPDLD-UHFFFAOYSA-N 2 2 224.267 2.391 10 0 BEAELP c1cn(-c2cccc(NC3CC[NH2+]CC3)c2)c[nH+]1 ZINC000038040941 183356687 /nfs/dbraw/zinc/35/66/87/183356687.db2.gz HDMNIUPPMBYRGT-UHFFFAOYSA-N 2 2 242.326 2.036 10 0 BEAELP CCC[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000052478925 169260698 /nfs/dbraw/zinc/26/06/98/169260698.db2.gz HEEAPXTWIRVIJS-CYBMUJFWSA-N 2 2 235.375 2.292 10 0 BEAELP CCC[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000052478925 169260700 /nfs/dbraw/zinc/26/07/00/169260700.db2.gz HEEAPXTWIRVIJS-CYBMUJFWSA-N 2 2 235.375 2.292 10 0 BEAELP CCC[NH2+]C[C@@H](CC)[NH+]1CCC(OCC)CC1 ZINC000052483951 169262196 /nfs/dbraw/zinc/26/21/96/169262196.db2.gz QHNJHYGWWAGBSP-CYBMUJFWSA-N 2 2 242.407 2.266 10 0 BEAELP CCC[NH2+][C@H]1CC[N@H+](Cc2cccnc2)[C@H](C)C1 ZINC000049712462 169291992 /nfs/dbraw/zinc/29/19/92/169291992.db2.gz WUHQVKCKXUZMFB-HIFRSBDPSA-N 2 2 247.386 2.434 10 0 BEAELP CCC[NH2+][C@H]1CC[N@@H+](Cc2cccnc2)[C@H](C)C1 ZINC000049712462 169291993 /nfs/dbraw/zinc/29/19/93/169291993.db2.gz WUHQVKCKXUZMFB-HIFRSBDPSA-N 2 2 247.386 2.434 10 0 BEAELP CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)[C@H](C)C1 ZINC000049712264 169292038 /nfs/dbraw/zinc/29/20/38/169292038.db2.gz WAHXDYWFYRURCX-KGLIPLIRSA-N 2 2 247.386 2.434 10 0 BEAELP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)[C@H](C)C1 ZINC000049712264 169292039 /nfs/dbraw/zinc/29/20/39/169292039.db2.gz WAHXDYWFYRURCX-KGLIPLIRSA-N 2 2 247.386 2.434 10 0 BEAELP CCCOc1ccc([C@H](C[NH3+])[NH+](C)C)cc1 ZINC000019796315 169322618 /nfs/dbraw/zinc/32/26/18/169322618.db2.gz QSULTARRRMULEX-ZDUSSCGKSA-N 2 2 222.332 2.037 10 0 BEAELP CCC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000020091978 169359796 /nfs/dbraw/zinc/35/97/96/169359796.db2.gz VLHUPRHZIXLLKF-CHWSQXEVSA-N 2 2 212.381 2.497 10 0 BEAELP CCC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000020091978 169359797 /nfs/dbraw/zinc/35/97/97/169359797.db2.gz VLHUPRHZIXLLKF-CHWSQXEVSA-N 2 2 212.381 2.497 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044685381 169360348 /nfs/dbraw/zinc/36/03/48/169360348.db2.gz VJPJBAWQXWHFKB-VXGBXAGGSA-N 2 2 210.365 2.249 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044685381 169360350 /nfs/dbraw/zinc/36/03/50/169360350.db2.gz VJPJBAWQXWHFKB-VXGBXAGGSA-N 2 2 210.365 2.249 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037156841 169361055 /nfs/dbraw/zinc/36/10/55/169361055.db2.gz LMELOVQSELIKJT-VXGBXAGGSA-N 2 2 209.337 2.297 10 0 BEAELP CCC[C@@H]([NH3+])[C@@H](CC)[N@H+](C)Cc1ccccn1 ZINC000036777344 169392787 /nfs/dbraw/zinc/39/27/87/169392787.db2.gz CDSJVUJUHHWQSK-ZIAGYGMSSA-N 2 2 235.375 2.419 10 0 BEAELP CCC[C@@H]([NH3+])[C@@H](CC)[N@@H+](C)Cc1ccccn1 ZINC000036777344 169392789 /nfs/dbraw/zinc/39/27/89/169392789.db2.gz CDSJVUJUHHWQSK-ZIAGYGMSSA-N 2 2 235.375 2.419 10 0 BEAELP CC[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)CC[NH2+]1 ZINC000049661948 171014236 /nfs/dbraw/zinc/01/42/36/171014236.db2.gz PBEMYKJRZWAYEA-QWHCGFSZSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@H]1CC[N@H+]([C@@H](C)CC(C)C)CC[NH2+]1 ZINC000049661948 171014237 /nfs/dbraw/zinc/01/42/37/171014237.db2.gz PBEMYKJRZWAYEA-QWHCGFSZSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000348149544 383900831 /nfs/dbraw/zinc/90/08/31/383900831.db2.gz KDASVDATUQJTTP-MHDGFBEUSA-N 2 2 222.376 2.247 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000348149544 383900836 /nfs/dbraw/zinc/90/08/36/383900836.db2.gz KDASVDATUQJTTP-MHDGFBEUSA-N 2 2 222.376 2.247 10 0 BEAELP CC[C@@](C)(C[NH2+][C@H](CC(C)C)C[NH+](C)C)OC ZINC000319621195 384269254 /nfs/dbraw/zinc/26/92/54/384269254.db2.gz LLABFKPGRHKHPF-KGLIPLIRSA-N 2 2 244.423 2.367 10 0 BEAELP c1ccc2[nH+]c(NC[C@@H]3CCCC[NH2+]3)[nH]c2c1 ZINC000044493247 384336597 /nfs/dbraw/zinc/33/65/97/384336597.db2.gz RJBQNMHNZSNUHK-JTQLQIEISA-N 2 2 230.315 2.117 10 0 BEAELP [NH3+]C[C@@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000335579859 384343123 /nfs/dbraw/zinc/34/31/23/384343123.db2.gz JLDGYTNVSDENBA-YPMHNXCESA-N 2 2 241.338 2.196 10 0 BEAELP [NH3+]C[C@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000335579856 384343636 /nfs/dbraw/zinc/34/36/36/384343636.db2.gz JLDGYTNVSDENBA-AAEUAGOBSA-N 2 2 241.338 2.196 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH3+])c1nccs1 ZINC000095068324 384330090 /nfs/dbraw/zinc/33/00/90/384330090.db2.gz QFBAZHKNXKPXAC-LPEHRKFASA-N 2 2 225.361 2.064 10 0 BEAELP CC[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000181136778 384457240 /nfs/dbraw/zinc/45/72/40/384457240.db2.gz VJBXDPPYYGZHJN-DGCLKSJQSA-N 2 2 221.348 2.454 10 0 BEAELP CC[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000181136778 384457245 /nfs/dbraw/zinc/45/72/45/384457245.db2.gz VJBXDPPYYGZHJN-DGCLKSJQSA-N 2 2 221.348 2.454 10 0 BEAELP C[NH+](C)[C@@H](C[NH3+])c1c[nH]c2c1cccc2Cl ZINC000082329848 384670007 /nfs/dbraw/zinc/67/00/07/384670007.db2.gz FBLOMQBANQAVJI-NSHDSACASA-N 2 2 237.734 2.383 10 0 BEAELP CC(C)(C)C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000374147551 384655309 /nfs/dbraw/zinc/65/53/09/384655309.db2.gz VLRFWEKRUXOLDD-LLVKDONJSA-N 2 2 221.348 2.396 10 0 BEAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)s1 ZINC000051171436 384659381 /nfs/dbraw/zinc/65/93/81/384659381.db2.gz FVCSIQJROJBHTB-ZCFIWIBFSA-N 2 2 227.720 2.367 10 0 BEAELP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000052275136 384727200 /nfs/dbraw/zinc/72/72/00/384727200.db2.gz KHTYPFSDARRSGL-FVQBIDKESA-N 2 2 244.382 2.301 10 0 BEAELP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000052275136 384727205 /nfs/dbraw/zinc/72/72/05/384727205.db2.gz KHTYPFSDARRSGL-FVQBIDKESA-N 2 2 244.382 2.301 10 0 BEAELP Cn1cc[nH+]c1CNc1cccc(C[NH+](C)C)c1 ZINC000051922045 384704804 /nfs/dbraw/zinc/70/48/04/384704804.db2.gz YHECHNGZTFZSGD-UHFFFAOYSA-N 2 2 244.342 2.094 10 0 BEAELP CCSCC[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000336756667 384854250 /nfs/dbraw/zinc/85/42/50/384854250.db2.gz IXOCXUCJYCPOMP-VXGBXAGGSA-N 2 2 230.421 2.058 10 0 BEAELP CCSCC[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000336756667 384854254 /nfs/dbraw/zinc/85/42/54/384854254.db2.gz IXOCXUCJYCPOMP-VXGBXAGGSA-N 2 2 230.421 2.058 10 0 BEAELP c1ccc(NC[C@@H]2CC[N@H+](CC3CC3)C2)[nH+]c1 ZINC000156473849 385454416 /nfs/dbraw/zinc/45/44/16/385454416.db2.gz SRUCHPMNIUVJSS-ZDUSSCGKSA-N 2 2 231.343 2.225 10 0 BEAELP c1ccc(NC[C@@H]2CC[N@@H+](CC3CC3)C2)[nH+]c1 ZINC000156473849 385454419 /nfs/dbraw/zinc/45/44/19/385454419.db2.gz SRUCHPMNIUVJSS-ZDUSSCGKSA-N 2 2 231.343 2.225 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@@H+]1CCc2sccc2C1 ZINC000020072144 387071805 /nfs/dbraw/zinc/07/18/05/387071805.db2.gz MJNGTBPRJTZTNU-LBPRGKRZSA-N 2 2 238.400 2.480 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@H+]1CCc2sccc2C1 ZINC000020072144 387071809 /nfs/dbraw/zinc/07/18/09/387071809.db2.gz MJNGTBPRJTZTNU-LBPRGKRZSA-N 2 2 238.400 2.480 10 0 BEAELP C[C@@H]1C[C@H]([NH2+]CC2(C)CCC2)C[N@@H+]1C1CC1 ZINC000120415864 387244978 /nfs/dbraw/zinc/24/49/78/387244978.db2.gz GUFYQJIFEHJQSN-NEPJUHHUSA-N 2 2 222.376 2.391 10 0 BEAELP C[C@@H]1C[C@H]([NH2+]CC2(C)CCC2)C[N@H+]1C1CC1 ZINC000120415864 387244982 /nfs/dbraw/zinc/24/49/82/387244982.db2.gz GUFYQJIFEHJQSN-NEPJUHHUSA-N 2 2 222.376 2.391 10 0 BEAELP FCC[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000285707786 387281873 /nfs/dbraw/zinc/28/18/73/387281873.db2.gz PJMATPSIJIWKCB-NWDGAFQWSA-N 2 2 225.311 2.001 10 0 BEAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396634943 387926768 /nfs/dbraw/zinc/92/67/68/387926768.db2.gz KCSMBQDUQCVQRJ-HUBLWGQQSA-N 2 2 248.370 2.486 10 0 BEAELP CC[C@H](C)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245546902 388588117 /nfs/dbraw/zinc/58/81/17/388588117.db2.gz WUNMHMOMIAGRBW-YNEHKIRRSA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H](C)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245546902 388588118 /nfs/dbraw/zinc/58/81/18/388588118.db2.gz WUNMHMOMIAGRBW-YNEHKIRRSA-N 2 2 212.381 2.351 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000246449946 388636299 /nfs/dbraw/zinc/63/62/99/388636299.db2.gz PEJYVBQJOCDYIZ-YRGRVCCFSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000246449946 388636303 /nfs/dbraw/zinc/63/63/03/388636303.db2.gz PEJYVBQJOCDYIZ-YRGRVCCFSA-N 2 2 224.392 2.493 10 0 BEAELP CCC[C@@H](C(=O)Nc1cc[nH+]c(C)c1)[NH+](C)C ZINC000126039380 388687635 /nfs/dbraw/zinc/68/76/35/388687635.db2.gz XLYYBBFYESSGLP-LBPRGKRZSA-N 2 2 235.331 2.059 10 0 BEAELP CC[C@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C ZINC000272000080 389027459 /nfs/dbraw/zinc/02/74/59/389027459.db2.gz HZRIPDGIKKOWGR-NSHDSACASA-N 2 2 209.337 2.297 10 0 BEAELP Cc1nc(N2CCC(C[NH3+])CC2)cc(C(C)C)[nH+]1 ZINC000045954872 132299288 /nfs/dbraw/zinc/29/92/88/132299288.db2.gz NRMDLICIXRDTNX-UHFFFAOYSA-N 2 2 248.374 2.084 10 0 BEAELP C[C@H]1C[C@H]([NH3+])CCN1c1ccc([NH+](C)C)cc1 ZINC000049711481 132357757 /nfs/dbraw/zinc/35/77/57/132357757.db2.gz QDBHHJFGTHCFNB-NWDGAFQWSA-N 2 2 233.359 2.069 10 0 BEAELP C[C@H]1C[C@H](C)CN(c2cc[nH+]c(C[NH3+])c2)C1 ZINC000051396429 132360001 /nfs/dbraw/zinc/36/00/01/132360001.db2.gz BWNPSHPLZLDTET-QWRGUYRKSA-N 2 2 219.332 2.023 10 0 BEAELP CC(C)[C@@H]1CN(c2ccc([NH+](C)C)cc2)CC[NH2+]1 ZINC000083377664 132425233 /nfs/dbraw/zinc/42/52/33/132425233.db2.gz KYWMXKAZNORNMQ-HNNXBMFYSA-N 2 2 247.386 2.187 10 0 BEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(C)C ZINC000178291903 134306144 /nfs/dbraw/zinc/30/61/44/134306144.db2.gz YZDOOOULNLIRFO-CYBMUJFWSA-N 2 2 221.348 2.312 10 0 BEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(C)C ZINC000178291903 134306145 /nfs/dbraw/zinc/30/61/45/134306145.db2.gz YZDOOOULNLIRFO-CYBMUJFWSA-N 2 2 221.348 2.312 10 0 BEAELP CCC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248960135 135028574 /nfs/dbraw/zinc/02/85/74/135028574.db2.gz BWXYLWPEXUFDFJ-OCCSQVGLSA-N 2 2 249.358 2.135 10 0 BEAELP CCC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248960135 135028575 /nfs/dbraw/zinc/02/85/75/135028575.db2.gz BWXYLWPEXUFDFJ-OCCSQVGLSA-N 2 2 249.358 2.135 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C)C1 ZINC000250189467 135050943 /nfs/dbraw/zinc/05/09/43/135050943.db2.gz ADNFHRWJRVBGCC-AGIUHOORSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C)C1 ZINC000250189467 135050946 /nfs/dbraw/zinc/05/09/46/135050946.db2.gz ADNFHRWJRVBGCC-AGIUHOORSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@H]1CC[N@H+](Cc2ccsc2)[C@H](C[NH3+])C1 ZINC000261537939 135174486 /nfs/dbraw/zinc/17/44/86/135174486.db2.gz WUUKSFPUNMSPMU-JQWIXIFHSA-N 2 2 224.373 2.307 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2ccsc2)[C@H](C[NH3+])C1 ZINC000261537939 135174487 /nfs/dbraw/zinc/17/44/87/135174487.db2.gz WUUKSFPUNMSPMU-JQWIXIFHSA-N 2 2 224.373 2.307 10 0 BEAELP C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)[C@H](C[NH3+])C1 ZINC000261551204 135190327 /nfs/dbraw/zinc/19/03/27/135190327.db2.gz TXYVXAKFNXSJNV-QWRGUYRKSA-N 2 2 244.342 2.127 10 0 BEAELP Cc1nc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cs1 ZINC000261585120 135225788 /nfs/dbraw/zinc/22/57/88/135225788.db2.gz QFGNKQXMRCFDNU-LLVKDONJSA-N 2 2 239.388 2.011 10 0 BEAELP Cc1nc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cs1 ZINC000261585120 135225791 /nfs/dbraw/zinc/22/57/91/135225791.db2.gz QFGNKQXMRCFDNU-LLVKDONJSA-N 2 2 239.388 2.011 10 0 BEAELP Cc1ncc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000261588403 135229287 /nfs/dbraw/zinc/22/92/87/135229287.db2.gz SJMPSYROOQKDHZ-LLVKDONJSA-N 2 2 239.388 2.011 10 0 BEAELP Cc1ncc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000261588403 135229288 /nfs/dbraw/zinc/22/92/88/135229288.db2.gz SJMPSYROOQKDHZ-LLVKDONJSA-N 2 2 239.388 2.011 10 0 BEAELP CC(C)C[C@H](C[NH3+])Nc1[nH+]c2ccccc2n1C ZINC000079048590 135267964 /nfs/dbraw/zinc/26/79/64/135267964.db2.gz DFKBSKNPWMJVQX-LLVKDONJSA-N 2 2 246.358 2.359 10 0 BEAELP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)o1 ZINC000335401021 136094333 /nfs/dbraw/zinc/09/43/33/136094333.db2.gz UTWZKPWIUUIJAK-WDEREUQCSA-N 2 2 237.347 2.103 10 0 BEAELP Cc1cnc([C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)o1 ZINC000335401021 136094334 /nfs/dbraw/zinc/09/43/34/136094334.db2.gz UTWZKPWIUUIJAK-WDEREUQCSA-N 2 2 237.347 2.103 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]Cc2ccsc2C)[C@@H](C)C1 ZINC000382299131 397932956 /nfs/dbraw/zinc/93/29/56/397932956.db2.gz MXSJOYSVUFWAQK-GWCFXTLKSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]Cc2ccsc2C)[C@@H](C)C1 ZINC000382299131 397932959 /nfs/dbraw/zinc/93/29/59/397932959.db2.gz MXSJOYSVUFWAQK-GWCFXTLKSA-N 2 2 238.400 2.486 10 0 BEAELP CC(C)[NH2+]CC[N@H+](C)CCc1ccccc1 ZINC000042691143 167102266 /nfs/dbraw/zinc/10/22/66/167102266.db2.gz DPGZHKRPDRDLJJ-UHFFFAOYSA-N 2 2 220.360 2.159 10 0 BEAELP CC(C)[NH2+]CC[N@@H+](C)CCc1ccccc1 ZINC000042691143 167102268 /nfs/dbraw/zinc/10/22/68/167102268.db2.gz DPGZHKRPDRDLJJ-UHFFFAOYSA-N 2 2 220.360 2.159 10 0 BEAELP CC(C)[NH2+]CC[NH2+][C@H](C)c1ccccc1 ZINC000039207840 167106728 /nfs/dbraw/zinc/10/67/28/167106728.db2.gz YSUSVZXIZYOTGX-GFCCVEGCSA-N 2 2 206.333 2.335 10 0 BEAELP Cn1c2ccccc2[nH+]c1NC[C@H]1CCCC[NH2+]1 ZINC000079047915 487568553 /nfs/dbraw/zinc/56/85/53/487568553.db2.gz MCTRUZPBFRISLY-LLVKDONJSA-N 2 2 244.342 2.127 10 0 BEAELP Clc1sccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000312760558 322922416 /nfs/dbraw/zinc/92/24/16/322922416.db2.gz HWJPODWZKRMMKP-QMMMGPOBSA-N 2 2 230.764 2.101 10 0 BEAELP CC(C)Oc1ccc([C@H](C[NH3+])[NH2+]C2CC2)cc1 ZINC000050271351 167300933 /nfs/dbraw/zinc/30/09/33/167300933.db2.gz JVZXIIALLYZHKM-AWEZNQCLSA-N 2 2 234.343 2.226 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655697497 411244379 /nfs/dbraw/zinc/24/43/79/411244379.db2.gz QONBMRGSBWAEKO-RWMBFGLXSA-N 2 2 242.432 2.344 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655697497 411244383 /nfs/dbraw/zinc/24/43/83/411244383.db2.gz QONBMRGSBWAEKO-RWMBFGLXSA-N 2 2 242.432 2.344 10 0 BEAELP CC[NH+](CC)CCC[NH2+]Cc1oc(C)nc1C ZINC000124230217 411333120 /nfs/dbraw/zinc/33/31/20/411333120.db2.gz NHZCGFPGZDRLKN-UHFFFAOYSA-N 2 2 239.363 2.113 10 0 BEAELP CC1CC[NH+]([C@@H]2C[C@H](C)CC[C@@H]2[NH3+])CC1 ZINC000023069622 168185972 /nfs/dbraw/zinc/18/59/72/168185972.db2.gz VNHAAJAJYUQMII-FRRDWIJNSA-N 2 2 210.365 2.234 10 0 BEAELP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(C)C ZINC000657328848 411467451 /nfs/dbraw/zinc/46/74/51/411467451.db2.gz FZXJIMPPVHTDGD-GFCCVEGCSA-N 2 2 221.348 2.354 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657385882 411489389 /nfs/dbraw/zinc/48/93/89/411489389.db2.gz UPYPHWTYNSDWEY-ZYHUDNBSSA-N 2 2 219.332 2.108 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000328199372 170020485 /nfs/dbraw/zinc/02/04/85/170020485.db2.gz RODLHYPMUOXWLJ-UPJWGTAASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000328199372 170020486 /nfs/dbraw/zinc/02/04/86/170020486.db2.gz RODLHYPMUOXWLJ-UPJWGTAASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CCc2nc(C[NH2+]C(C)C)sc2C1 ZINC000053295471 170025812 /nfs/dbraw/zinc/02/58/12/170025812.db2.gz QYXCTXMGBQPQFU-UHFFFAOYSA-N 2 2 239.388 2.019 10 0 BEAELP CC[N@H+]1CCc2nc(C[NH2+]C(C)C)sc2C1 ZINC000053295471 170025813 /nfs/dbraw/zinc/02/58/13/170025813.db2.gz QYXCTXMGBQPQFU-UHFFFAOYSA-N 2 2 239.388 2.019 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccs2)C1 ZINC000336753924 170032279 /nfs/dbraw/zinc/03/22/79/170032279.db2.gz HCUNMUGDDUWZOL-ZYHUDNBSSA-N 2 2 224.373 2.178 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccs2)C1 ZINC000336753924 170032281 /nfs/dbraw/zinc/03/22/81/170032281.db2.gz HCUNMUGDDUWZOL-ZYHUDNBSSA-N 2 2 224.373 2.178 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000336776215 170034930 /nfs/dbraw/zinc/03/49/30/170034930.db2.gz FCWDIAMBPLHFQM-MJBXVCDLSA-N 2 2 222.376 2.273 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]CC2(SC)CCC2)[C@@H](C)C1 ZINC000336777157 170036006 /nfs/dbraw/zinc/03/60/06/170036006.db2.gz HOFINXAYNWHHNV-RYUDHWBXSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]CC2(SC)CCC2)[C@@H](C)C1 ZINC000336777157 170036007 /nfs/dbraw/zinc/03/60/07/170036007.db2.gz HOFINXAYNWHHNV-RYUDHWBXSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC000306333731 170036489 /nfs/dbraw/zinc/03/64/89/170036489.db2.gz DWPFYBUIICESKD-JSGCOSHPSA-N 2 2 218.344 2.116 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC000306333731 170036490 /nfs/dbraw/zinc/03/64/90/170036490.db2.gz DWPFYBUIICESKD-JSGCOSHPSA-N 2 2 218.344 2.116 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000336779666 170040034 /nfs/dbraw/zinc/04/00/34/170040034.db2.gz PCTCJRBLXIDJPX-XJFOESAGSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000336779666 170040035 /nfs/dbraw/zinc/04/00/35/170040035.db2.gz PCTCJRBLXIDJPX-XJFOESAGSA-N 2 2 224.392 2.495 10 0 BEAELP CC[NH2+]C(C)(C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000061299626 170107822 /nfs/dbraw/zinc/10/78/22/170107822.db2.gz BCBHVKQJXVIWJD-RYUDHWBXSA-N 2 2 212.381 2.352 10 0 BEAELP CC[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000037483610 170108707 /nfs/dbraw/zinc/10/87/07/170108707.db2.gz PKQFCDDPDWGTBH-UHFFFAOYSA-N 2 2 224.373 2.322 10 0 BEAELP CC[NH2+]CCn1cc[nH+]c1-c1ccccc1 ZINC000042410491 170118490 /nfs/dbraw/zinc/11/84/90/170118490.db2.gz BDSYUUUKKDTDEQ-UHFFFAOYSA-N 2 2 215.300 2.160 10 0 BEAELP CC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000020096528 170119774 /nfs/dbraw/zinc/11/97/74/170119774.db2.gz IZMDRFWXHALJNR-AWEZNQCLSA-N 2 2 218.344 2.433 10 0 BEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000035570349 170145736 /nfs/dbraw/zinc/14/57/36/170145736.db2.gz ZHFXMHUWQGOJAN-LBPRGKRZSA-N 2 2 233.290 2.442 10 0 BEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccccc1C ZINC000035570216 170146590 /nfs/dbraw/zinc/14/65/90/170146590.db2.gz CKIDZVNENBFZIZ-CQSZACIVSA-N 2 2 243.354 2.481 10 0 BEAELP CC[NH2+][C@@H]1CCCC[C@H]1[NH+]1CCCCC1 ZINC000043814331 170150595 /nfs/dbraw/zinc/15/05/95/170150595.db2.gz GJAQJOSYRKSZPW-CHWSQXEVSA-N 2 2 210.365 2.393 10 0 BEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1n1cc[nH+]c1 ZINC000043992899 170151003 /nfs/dbraw/zinc/15/10/03/170151003.db2.gz WNIQRWVHPINLPW-NEPJUHHUSA-N 2 2 207.321 2.366 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000037241126 170151222 /nfs/dbraw/zinc/15/12/22/170151222.db2.gz XBRSGOWUMJUFBR-CQSZACIVSA-N 2 2 236.334 2.052 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000037241126 170151224 /nfs/dbraw/zinc/15/12/24/170151224.db2.gz XBRSGOWUMJUFBR-CQSZACIVSA-N 2 2 236.334 2.052 10 0 BEAELP CC[NH2+][C@@H]1CCC[C@H]1[NH+]1CCC(C)CC1 ZINC000043806636 170151318 /nfs/dbraw/zinc/15/13/18/170151318.db2.gz DVXOIIILVFUBOK-CHWSQXEVSA-N 2 2 210.365 2.249 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2cccs2)C1 ZINC000037483673 170153178 /nfs/dbraw/zinc/15/31/78/170153178.db2.gz JGHZKUMZVDCIAS-WDEREUQCSA-N 2 2 224.373 2.493 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2cccs2)C1 ZINC000037483673 170153180 /nfs/dbraw/zinc/15/31/80/170153180.db2.gz JGHZKUMZVDCIAS-WDEREUQCSA-N 2 2 224.373 2.493 10 0 BEAELP CC[NH2+][C@H](C)Cc1[nH]c2ccc(C)cc2[nH+]1 ZINC000061181828 170158460 /nfs/dbraw/zinc/15/84/60/170158460.db2.gz FJBXTGLLLDYXAW-SNVBAGLBSA-N 2 2 217.316 2.412 10 0 BEAELP CC[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000063033845 170163434 /nfs/dbraw/zinc/16/34/34/170163434.db2.gz VTGBXRYZXUUPIE-CYBMUJFWSA-N 2 2 229.327 2.313 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657844267 411610508 /nfs/dbraw/zinc/61/05/08/411610508.db2.gz IDUSLHCGYWAITM-CHWSQXEVSA-N 2 2 242.432 2.346 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657844267 411610509 /nfs/dbraw/zinc/61/05/09/411610509.db2.gz IDUSLHCGYWAITM-CHWSQXEVSA-N 2 2 242.432 2.346 10 0 BEAELP CC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000036373244 171010497 /nfs/dbraw/zinc/01/04/97/171010497.db2.gz GBPGETNVVNFQHR-ZIAGYGMSSA-N 2 2 218.344 2.246 10 0 BEAELP CC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000036373244 171010499 /nfs/dbraw/zinc/01/04/99/171010499.db2.gz GBPGETNVVNFQHR-ZIAGYGMSSA-N 2 2 218.344 2.246 10 0 BEAELP CC[C@@H]1CC[N@H+](Cc2ccccc2OC)CC[NH2+]1 ZINC000049661182 171012572 /nfs/dbraw/zinc/01/25/72/171012572.db2.gz YPMSPMVWFMKARJ-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP CC[C@@H]1CC[N@@H+](Cc2ccccc2OC)CC[NH2+]1 ZINC000049661182 171012573 /nfs/dbraw/zinc/01/25/73/171012573.db2.gz YPMSPMVWFMKARJ-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP CC[C@@H]1C[N@@H+]([C@](C)(C[NH3+])CCC(C)C)CCO1 ZINC000036769512 171098318 /nfs/dbraw/zinc/09/83/18/171098318.db2.gz NEPDTBQXBONADT-KGLIPLIRSA-N 2 2 242.407 2.251 10 0 BEAELP CC[C@@H]1C[N@H+]([C@](C)(C[NH3+])CCC(C)C)CCO1 ZINC000036769512 171098319 /nfs/dbraw/zinc/09/83/19/171098319.db2.gz NEPDTBQXBONADT-KGLIPLIRSA-N 2 2 242.407 2.251 10 0 BEAELP CC[C@@](C)(C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000019438021 171166338 /nfs/dbraw/zinc/16/63/38/171166338.db2.gz UYEFXUXXXHDXGQ-LBPRGKRZSA-N 2 2 224.373 2.234 10 0 BEAELP CC[C@@](C)(C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000019438021 171166341 /nfs/dbraw/zinc/16/63/41/171166341.db2.gz UYEFXUXXXHDXGQ-LBPRGKRZSA-N 2 2 224.373 2.234 10 0 BEAELP CC[C@H](C)[NH2+]Cc1csc(C[NH+](C)C)n1 ZINC000082686661 171343751 /nfs/dbraw/zinc/34/37/51/171343751.db2.gz SDFPRSDASSOXKF-VIFPVBQESA-N 2 2 227.377 2.093 10 0 BEAELP CC[C@H](C)[C@@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000037227980 171368765 /nfs/dbraw/zinc/36/87/65/171368765.db2.gz QTPZBRXKVSMOBH-CMPLNLGQSA-N 2 2 238.400 2.480 10 0 BEAELP CC[C@H](C)[C@@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000037227980 171368767 /nfs/dbraw/zinc/36/87/67/171368767.db2.gz QTPZBRXKVSMOBH-CMPLNLGQSA-N 2 2 238.400 2.480 10 0 BEAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000309183862 171390526 /nfs/dbraw/zinc/39/05/26/171390526.db2.gz OFZNSFKUYBTUBU-QNWHQSFQSA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000309183862 171390528 /nfs/dbraw/zinc/39/05/28/171390528.db2.gz OFZNSFKUYBTUBU-QNWHQSFQSA-N 2 2 212.381 2.351 10 0 BEAELP C[NH+](C)CCC[NH2+]Cc1c(F)cc(F)cc1F ZINC000083375070 172442149 /nfs/dbraw/zinc/44/21/49/172442149.db2.gz PPMLNHZWRSBFRR-UHFFFAOYSA-N 2 2 246.276 2.145 10 0 BEAELP C[NH+](C)c1ccc(N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000076680485 173021505 /nfs/dbraw/zinc/02/15/05/173021505.db2.gz SDYUNAGOAVBPLA-CYBMUJFWSA-N 2 2 233.359 2.259 10 0 BEAELP C[NH+](C)c1ccc(N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000076680485 173021506 /nfs/dbraw/zinc/02/15/06/173021506.db2.gz SDYUNAGOAVBPLA-CYBMUJFWSA-N 2 2 233.359 2.259 10 0 BEAELP C[N@@H+]1CCC[C@H](Nc2cn[nH+]c3ccccc23)C1 ZINC000104119446 173047026 /nfs/dbraw/zinc/04/70/26/173047026.db2.gz RVHNYBXFUKSZOU-NSHDSACASA-N 2 2 242.326 2.136 10 0 BEAELP C[N@H+]1CCC[C@H](Nc2cn[nH+]c3ccccc23)C1 ZINC000104119446 173047029 /nfs/dbraw/zinc/04/70/29/173047029.db2.gz RVHNYBXFUKSZOU-NSHDSACASA-N 2 2 242.326 2.136 10 0 BEAELP C[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000135838536 173323029 /nfs/dbraw/zinc/32/30/29/173323029.db2.gz DAMZPMKUJHNPDX-UHFFFAOYSA-N 2 2 236.334 2.318 10 0 BEAELP C[NH2+]CC[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000052374354 173357389 /nfs/dbraw/zinc/35/73/89/173357389.db2.gz GJIMCNREZCYMFF-LLVKDONJSA-N 2 2 204.317 2.000 10 0 BEAELP C[NH2+]C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C)C1 ZINC000052484707 173366651 /nfs/dbraw/zinc/36/66/51/173366651.db2.gz GHNFLXCTCOMSBC-OCCSQVGLSA-N 2 2 218.344 2.289 10 0 BEAELP C[NH2+]C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C)C1 ZINC000052484707 173366652 /nfs/dbraw/zinc/36/66/52/173366652.db2.gz GHNFLXCTCOMSBC-OCCSQVGLSA-N 2 2 218.344 2.289 10 0 BEAELP COC1CC[NH+]([C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000042901175 174030832 /nfs/dbraw/zinc/03/08/32/174030832.db2.gz FHQLPXSPCLINBR-DOMZBBRYSA-N 2 2 248.370 2.186 10 0 BEAELP COC1CC[NH+]([C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000042901181 174030879 /nfs/dbraw/zinc/03/08/79/174030879.db2.gz FHQLPXSPCLINBR-IUODEOHRSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@H+]([C@@H](C[NH3+])c1ccccc1C)C1CC1 ZINC000042517934 174284666 /nfs/dbraw/zinc/28/46/66/174284666.db2.gz FVDLWOOHTKGSLK-HNNXBMFYSA-N 2 2 248.370 2.106 10 0 BEAELP COCC[N@@H+]([C@@H](C[NH3+])c1ccccc1C)C1CC1 ZINC000042517934 174284668 /nfs/dbraw/zinc/28/46/68/174284668.db2.gz FVDLWOOHTKGSLK-HNNXBMFYSA-N 2 2 248.370 2.106 10 0 BEAELP COCC[N@H+]([C@@H](C[NH3+])c1cccc(C)c1)C1CC1 ZINC000042517938 174285129 /nfs/dbraw/zinc/28/51/29/174285129.db2.gz VEQROEUAPKPGHB-HNNXBMFYSA-N 2 2 248.370 2.106 10 0 BEAELP COCC[N@@H+]([C@@H](C[NH3+])c1cccc(C)c1)C1CC1 ZINC000042517938 174285130 /nfs/dbraw/zinc/28/51/30/174285130.db2.gz VEQROEUAPKPGHB-HNNXBMFYSA-N 2 2 248.370 2.106 10 0 BEAELP COc1ccc(-c2[nH+]c(C[C@H](C)[NH3+])[nH]c2C)cc1 ZINC000037608971 175028958 /nfs/dbraw/zinc/02/89/58/175028958.db2.gz PUZXKODIUFQWND-VIFPVBQESA-N 2 2 245.326 2.283 10 0 BEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CC2CC2)cc1 ZINC000042961358 175181853 /nfs/dbraw/zinc/18/18/53/175181853.db2.gz VGMHVIJEUPNUDS-IAQYHMDHSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CC2)cc1 ZINC000042961358 175181854 /nfs/dbraw/zinc/18/18/54/175181854.db2.gz VGMHVIJEUPNUDS-IAQYHMDHSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)C(C)C)cc1 ZINC000042960202 175193955 /nfs/dbraw/zinc/19/39/55/175193955.db2.gz JNXSEVOZKOBORH-RISCZKNCSA-N 2 2 236.359 2.424 10 0 BEAELP COc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)C(C)C)cc1 ZINC000042960202 175193957 /nfs/dbraw/zinc/19/39/57/175193957.db2.gz JNXSEVOZKOBORH-RISCZKNCSA-N 2 2 236.359 2.424 10 0 BEAELP COc1cccc([C@@H]([NH3+])C[N@@H+]2CCC[C@H]2C)c1 ZINC000037910623 175288539 /nfs/dbraw/zinc/28/85/39/175288539.db2.gz IUWUZSKOPVUUPX-RISCZKNCSA-N 2 2 234.343 2.179 10 0 BEAELP COc1cccc([C@@H]([NH3+])C[N@H+]2CCC[C@H]2C)c1 ZINC000037910623 175288540 /nfs/dbraw/zinc/28/85/40/175288540.db2.gz IUWUZSKOPVUUPX-RISCZKNCSA-N 2 2 234.343 2.179 10 0 BEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000043025415 175289626 /nfs/dbraw/zinc/28/96/26/175289626.db2.gz NUYDEGMHCVTPIO-BXUZGUMPSA-N 2 2 234.343 2.179 10 0 BEAELP COc1cccc([C@@H]([C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000043025411 175289696 /nfs/dbraw/zinc/28/96/96/175289696.db2.gz NUYDEGMHCVTPIO-SMDDNHRTSA-N 2 2 234.343 2.179 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@H+](C)CC(C)C)c1 ZINC000020225829 175294357 /nfs/dbraw/zinc/29/43/57/175294357.db2.gz OZXXZQBSKJVQRY-AWEZNQCLSA-N 2 2 236.359 2.283 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000020225829 175294359 /nfs/dbraw/zinc/29/43/59/175294359.db2.gz OZXXZQBSKJVQRY-AWEZNQCLSA-N 2 2 236.359 2.283 10 0 BEAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)C(C)C ZINC000043096727 175347754 /nfs/dbraw/zinc/34/77/54/175347754.db2.gz NUFTWPBEYVUYKN-BXUZGUMPSA-N 2 2 236.359 2.424 10 0 BEAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)C(C)C ZINC000043096727 175347757 /nfs/dbraw/zinc/34/77/57/175347757.db2.gz NUFTWPBEYVUYKN-BXUZGUMPSA-N 2 2 236.359 2.424 10 0 BEAELP C[C@@H](c1cccs1)[N@H+](C)C[C@@H]1CCC[NH2+]1 ZINC000049717086 176032853 /nfs/dbraw/zinc/03/28/53/176032853.db2.gz OCDCTKMOISDFDX-QWRGUYRKSA-N 2 2 224.373 2.493 10 0 BEAELP C[C@@H](c1cccs1)[N@@H+](C)C[C@@H]1CCC[NH2+]1 ZINC000049717086 176032854 /nfs/dbraw/zinc/03/28/54/176032854.db2.gz OCDCTKMOISDFDX-QWRGUYRKSA-N 2 2 224.373 2.493 10 0 BEAELP C[C@@H]1CCC[N@@H+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000023071849 176103060 /nfs/dbraw/zinc/10/30/60/176103060.db2.gz IWBFIUDYUWGFOR-FRRDWIJNSA-N 2 2 210.365 2.378 10 0 BEAELP C[C@@H]1CCC[N@H+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000023071849 176103061 /nfs/dbraw/zinc/10/30/61/176103061.db2.gz IWBFIUDYUWGFOR-FRRDWIJNSA-N 2 2 210.365 2.378 10 0 BEAELP C[C@@H]1CC[N@@H+](C2(C[NH3+])CCSCC2)[C@H](C)C1 ZINC000051730373 176166686 /nfs/dbraw/zinc/16/66/86/176166686.db2.gz WYDSVEPVRYIWOO-VXGBXAGGSA-N 2 2 242.432 2.331 10 0 BEAELP C[C@@H]1CC[N@H+](C2(C[NH3+])CCSCC2)[C@H](C)C1 ZINC000051730373 176166688 /nfs/dbraw/zinc/16/66/88/176166688.db2.gz WYDSVEPVRYIWOO-VXGBXAGGSA-N 2 2 242.432 2.331 10 0 BEAELP C[C@@H]1CC[N@H+](Cc2ccccc2F)CC[NH2+]1 ZINC000049661416 176176111 /nfs/dbraw/zinc/17/61/11/176176111.db2.gz KLKNALFALUEODU-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1CC[N@@H+](Cc2ccccc2F)CC[NH2+]1 ZINC000049661416 176176112 /nfs/dbraw/zinc/17/61/12/176176112.db2.gz KLKNALFALUEODU-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccsc2)C1 ZINC000042278867 176180655 /nfs/dbraw/zinc/18/06/55/176180655.db2.gz DLEBKCRWGSRUFA-KOLCDFICSA-N 2 2 210.346 2.090 10 0 BEAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccsc2)C1 ZINC000042278867 176180656 /nfs/dbraw/zinc/18/06/56/176180656.db2.gz DLEBKCRWGSRUFA-KOLCDFICSA-N 2 2 210.346 2.090 10 0 BEAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000042278837 176181007 /nfs/dbraw/zinc/18/10/07/176181007.db2.gz AHOKSVFUDDRJPY-MFKMUULPSA-N 2 2 222.307 2.167 10 0 BEAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000042278837 176181008 /nfs/dbraw/zinc/18/10/08/176181008.db2.gz AHOKSVFUDDRJPY-MFKMUULPSA-N 2 2 222.307 2.167 10 0 BEAELP C[C@H](c1cccs1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000100256883 177049463 /nfs/dbraw/zinc/04/94/63/177049463.db2.gz GDFXQLRAYRSHNS-NXEZZACHSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H](c1cccs1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000100256883 177049465 /nfs/dbraw/zinc/04/94/65/177049465.db2.gz GDFXQLRAYRSHNS-NXEZZACHSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H](c1nccs1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068229 177054329 /nfs/dbraw/zinc/05/43/29/177054329.db2.gz PRAXBTLRTGCXAK-GHMZBOCLSA-N 2 2 239.388 2.136 10 0 BEAELP C[C@H](c1nccs1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068229 177054331 /nfs/dbraw/zinc/05/43/31/177054331.db2.gz PRAXBTLRTGCXAK-GHMZBOCLSA-N 2 2 239.388 2.136 10 0 BEAELP C[C@H]1CCCC[C@H]1[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000042606720 177086647 /nfs/dbraw/zinc/08/66/47/177086647.db2.gz NWYUYCAJYRMMJT-QWHCGFSZSA-N 2 2 240.391 2.005 10 0 BEAELP C[C@H]1CCCC[C@H]1[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000042606720 177086649 /nfs/dbraw/zinc/08/66/49/177086649.db2.gz NWYUYCAJYRMMJT-QWHCGFSZSA-N 2 2 240.391 2.005 10 0 BEAELP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000044417877 177161574 /nfs/dbraw/zinc/16/15/74/177161574.db2.gz LEYIZWFTLCZGQT-HZSPNIEDSA-N 2 2 224.392 2.497 10 0 BEAELP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000044417877 177161575 /nfs/dbraw/zinc/16/15/75/177161575.db2.gz LEYIZWFTLCZGQT-HZSPNIEDSA-N 2 2 224.392 2.497 10 0 BEAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000340451421 177236273 /nfs/dbraw/zinc/23/62/73/177236273.db2.gz MKAOWBFJHXWFOY-YZQVSVNPSA-N 2 2 248.414 2.351 10 0 BEAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000340451421 177236275 /nfs/dbraw/zinc/23/62/75/177236275.db2.gz MKAOWBFJHXWFOY-YZQVSVNPSA-N 2 2 248.414 2.351 10 0 BEAELP C[C@@H]1CO[C@@H](C)C[N@H+]1C1(C[NH3+])CCCCCC1 ZINC000035783560 177240230 /nfs/dbraw/zinc/24/02/30/177240230.db2.gz WCTJIZGYDDJKOW-OLZOCXBDSA-N 2 2 240.391 2.147 10 0 BEAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1C1(C[NH3+])CCCCCC1 ZINC000035783560 177240232 /nfs/dbraw/zinc/24/02/32/177240232.db2.gz WCTJIZGYDDJKOW-OLZOCXBDSA-N 2 2 240.391 2.147 10 0 BEAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCCCCC2)C[C@H](C)O1 ZINC000019473385 177240841 /nfs/dbraw/zinc/24/08/41/177240841.db2.gz CFXRREOVMREJHO-BETUJISGSA-N 2 2 240.391 2.147 10 0 BEAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCCCCC2)C[C@H](C)O1 ZINC000019473385 177240843 /nfs/dbraw/zinc/24/08/43/177240843.db2.gz CFXRREOVMREJHO-BETUJISGSA-N 2 2 240.391 2.147 10 0 BEAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000019430732 177275050 /nfs/dbraw/zinc/27/50/50/177275050.db2.gz STCRXWMGPHTPHX-MQYQWHSLSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000019430732 177275051 /nfs/dbraw/zinc/27/50/51/177275051.db2.gz STCRXWMGPHTPHX-MQYQWHSLSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1C[N@H+]([C@@]2(C[NH3+])CCCC[C@@H]2C)C[C@H](C)O1 ZINC000019515830 177275204 /nfs/dbraw/zinc/27/52/04/177275204.db2.gz YYTZQACFASOKKM-IGQOVBAYSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1C[N@@H+]([C@@]2(C[NH3+])CCCC[C@@H]2C)C[C@H](C)O1 ZINC000019515830 177275206 /nfs/dbraw/zinc/27/52/06/177275206.db2.gz YYTZQACFASOKKM-IGQOVBAYSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H](C1CCCCC1)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000052342398 177282417 /nfs/dbraw/zinc/28/24/17/177282417.db2.gz MOZZXBKVXPJEJS-STQMWFEESA-N 2 2 224.392 2.497 10 0 BEAELP C[C@@H](C1CCCCC1)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC000052342398 177282420 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ZINC000128023501 490567124 /nfs/dbraw/zinc/56/71/24/490567124.db2.gz IMIONTBNBXLXGC-UKRRQHHQSA-N 2 2 245.370 2.106 10 0 BEAELP Cc1cc[nH+]cc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226831142 491051861 /nfs/dbraw/zinc/05/18/61/491051861.db2.gz MRTZNCSTGMNMGI-RYUDHWBXSA-N 2 2 219.332 2.285 10 0 BEAELP Cc1cc[nH+]cc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226831142 491051862 /nfs/dbraw/zinc/05/18/62/491051862.db2.gz MRTZNCSTGMNMGI-RYUDHWBXSA-N 2 2 219.332 2.285 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H](Nc2cccc(C)[nH+]2)C1 ZINC000309412595 491148898 /nfs/dbraw/zinc/14/88/98/491148898.db2.gz CATWNURORWCIFD-CMPLNLGQSA-N 2 2 219.332 2.142 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H](Nc2cccc(C)[nH+]2)C1 ZINC000309412595 491148899 /nfs/dbraw/zinc/14/88/99/491148899.db2.gz CATWNURORWCIFD-CMPLNLGQSA-N 2 2 219.332 2.142 10 0 BEAELP C[N@@H+]1CC[C@@H]2CC[NH+](CC3(C)CCC3)[C@@H]2C1 ZINC000336138265 536463139 /nfs/dbraw/zinc/46/31/39/536463139.db2.gz LPOXTYGRQMSUSW-CHWSQXEVSA-N 2 2 222.376 2.203 10 0 BEAELP C[N@H+]1CC[C@@H]2CC[NH+](CC3(C)CCC3)[C@@H]2C1 ZINC000336138265 536463141 /nfs/dbraw/zinc/46/31/41/536463141.db2.gz LPOXTYGRQMSUSW-CHWSQXEVSA-N 2 2 222.376 2.203 10 0 BEAELP C[NH+]1CC[C@@H]2CC[N@H+](CC3(C)CCC3)[C@@H]2C1 ZINC000336138265 536463144 /nfs/dbraw/zinc/46/31/44/536463144.db2.gz LPOXTYGRQMSUSW-CHWSQXEVSA-N 2 2 222.376 2.203 10 0 BEAELP C[NH+]1CC[C@@H]2CC[N@@H+](CC3(C)CCC3)[C@@H]2C1 ZINC000336138265 536463146 /nfs/dbraw/zinc/46/31/46/536463146.db2.gz LPOXTYGRQMSUSW-CHWSQXEVSA-N 2 2 222.376 2.203 10 0 BEAELP CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C)C1CC1 ZINC000252729280 535948786 /nfs/dbraw/zinc/94/87/86/535948786.db2.gz FZSCZHWAJIUTMJ-XBFCOCLRSA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C)C1CC1 ZINC000252729280 535948790 /nfs/dbraw/zinc/94/87/90/535948790.db2.gz FZSCZHWAJIUTMJ-XBFCOCLRSA-N 2 2 224.392 2.493 10 0 BEAELP C[NH+]1CCC2(CC1)[NH2+][C@H](c1ccccc1)CCO2 ZINC000757139014 582519028 /nfs/dbraw/zinc/51/90/28/582519028.db2.gz CRZSFNGUJQIPRS-AWEZNQCLSA-N 2 2 246.354 2.160 10 0 BEAELP C[C@H]1[NH2+]CCC[C@H]1[NH+]1CCC(C)(C)CC1 ZINC000396731721 583089305 /nfs/dbraw/zinc/08/93/05/583089305.db2.gz YYKXVXKYSOGLMP-VXGBXAGGSA-N 2 2 210.365 2.249 10 0 BEAELP CCSCC[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000128928842 583551029 /nfs/dbraw/zinc/55/10/29/583551029.db2.gz DYUWNYLYVNEAAC-LBPRGKRZSA-N 2 2 230.421 2.204 10 0 BEAELP COc1cc[nH+]c(-c2cccc(C[NH3+])c2)c1 ZINC000757573758 586382867 /nfs/dbraw/zinc/38/28/67/586382867.db2.gz YMVHRHFOQYNCFJ-UHFFFAOYSA-N 2 2 214.268 2.216 10 0 BEAELP CC(=O)c1ccc([C@@H]2CC[C@@H]([NH3+])[C@H](C)[NH2+]2)cc1 ZINC000757213321 586439236 /nfs/dbraw/zinc/43/92/36/586439236.db2.gz JKLQUKCCCKSKJQ-FZZIBODNSA-N 2 2 232.327 2.030 10 0 BEAELP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCSC2)C1 ZINC000128244483 590949805 /nfs/dbraw/zinc/94/98/05/590949805.db2.gz KXOBFNGZPJGXKF-CHWSQXEVSA-N 2 2 242.432 2.204 10 0 BEAELP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCSC2)C1 ZINC000128244483 590949806 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633788186 /nfs/dbraw/zinc/78/81/86/633788186.db2.gz XQFYSKIZUCGBSF-FGWVZKOKSA-N 2 2 232.318 2.104 10 0 BEAELP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(F)F ZINC000122586851 633788189 /nfs/dbraw/zinc/78/81/89/633788189.db2.gz XQFYSKIZUCGBSF-FGWVZKOKSA-N 2 2 232.318 2.104 10 0 BEAELP C[N@H+](C[C@@H]1CCC2(CCCC2)C[NH2+]1)C1CC1 ZINC000669384685 636589679 /nfs/dbraw/zinc/58/96/79/636589679.db2.gz BDUCEYHVRQJCSQ-LBPRGKRZSA-N 2 2 222.376 2.393 10 0 BEAELP C[N@@H+](C[C@@H]1CCC2(CCCC2)C[NH2+]1)C1CC1 ZINC000669384685 636589689 /nfs/dbraw/zinc/58/96/89/636589689.db2.gz BDUCEYHVRQJCSQ-LBPRGKRZSA-N 2 2 222.376 2.393 10 0 BEAELP COc1ccccc1C[N@H+](C)CCC[NH2+]C1CC1 ZINC000042442204 637250145 /nfs/dbraw/zinc/25/01/45/637250145.db2.gz KLGCKTNEMUTASI-UHFFFAOYSA-N 2 2 248.370 2.269 10 0 BEAELP COc1ccccc1C[N@@H+](C)CCC[NH2+]C1CC1 ZINC000042442204 637250156 /nfs/dbraw/zinc/25/01/56/637250156.db2.gz KLGCKTNEMUTASI-UHFFFAOYSA-N 2 2 248.370 2.269 10 0 BEAELP CC(C)C[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757123239 644864171 /nfs/dbraw/zinc/86/41/71/644864171.db2.gz ABEOGXPKNRLEJC-CQSZACIVSA-N 2 2 222.376 2.203 10 0 BEAELP CC(C)C[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757123239 644864174 /nfs/dbraw/zinc/86/41/74/644864174.db2.gz ABEOGXPKNRLEJC-CQSZACIVSA-N 2 2 222.376 2.203 10 0 BEAELP CC(C)[C@@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709698016 712216161 /nfs/dbraw/zinc/21/61/61/712216161.db2.gz VMQRLIAPZTYLTQ-SECBINFHSA-N 2 2 239.388 2.004 10 0 BEAELP CC(C)[C@@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709698016 712216162 /nfs/dbraw/zinc/21/61/62/712216162.db2.gz VMQRLIAPZTYLTQ-SECBINFHSA-N 2 2 239.388 2.004 10 0 BEAELP C[C@H](C[N@@H+]1C[C@@H](F)C[C@H]1C[NH3+])C(C)(C)C ZINC000378719081 712358077 /nfs/dbraw/zinc/35/80/77/712358077.db2.gz DUZSXMMTJBXQKJ-VWYCJHECSA-N 2 2 216.344 2.040 10 0 BEAELP C[C@H](C[N@H+]1C[C@@H](F)C[C@H]1C[NH3+])C(C)(C)C ZINC000378719081 712358079 /nfs/dbraw/zinc/35/80/79/712358079.db2.gz DUZSXMMTJBXQKJ-VWYCJHECSA-N 2 2 216.344 2.040 10 0 BEAELP CC(C)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000044561880 1171391315 /nfs/dbraw/zinc/39/13/15/1171391315.db2.gz OAHCZRYJVNZRFH-STQMWFEESA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000044561880 1171391320 /nfs/dbraw/zinc/39/13/20/1171391320.db2.gz OAHCZRYJVNZRFH-STQMWFEESA-N 2 2 212.381 2.495 10 0 BEAELP CCc1ccccc1C[NH2+]CC[NH+]1CCCC1 ZINC000052200392 1171948633 /nfs/dbraw/zinc/94/86/33/1171948633.db2.gz CVPOUUZNSUMVFM-UHFFFAOYSA-N 2 2 232.371 2.434 10 0 BEAELP C[C@@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccccc2)C1 ZINC000252134463 398186289 /nfs/dbraw/zinc/18/62/89/398186289.db2.gz LHQTWACZUTUCKS-TZMCWYRMSA-N 2 2 218.344 2.418 10 0 BEAELP C[C@@H]1CCC[N@H+]([C@H](C[NH3+])c2ccccc2)C1 ZINC000252134463 398186296 /nfs/dbraw/zinc/18/62/96/398186296.db2.gz LHQTWACZUTUCKS-TZMCWYRMSA-N 2 2 218.344 2.418 10 0 BEAELP Cc1cc([NH3+])ccc1NCC[NH+]1CCCCC1 ZINC000049574623 178105684 /nfs/dbraw/zinc/10/56/84/178105684.db2.gz QTPYDEKVQLLJAS-UHFFFAOYSA-N 2 2 233.359 2.475 10 0 BEAELP Cc1cc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc[nH+]1 ZINC000019861866 178143963 /nfs/dbraw/zinc/14/39/63/178143963.db2.gz HVJJZLOLJIHCCE-ZDUSSCGKSA-N 2 2 241.294 2.029 10 0 BEAELP Cc1cc([C@H](C[NH3+])[NH+]2CCCC2)c(C)s1 ZINC000049687165 178261180 /nfs/dbraw/zinc/26/11/80/178261180.db2.gz CKSBZDPTQAJAJQ-LBPRGKRZSA-N 2 2 224.373 2.461 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000336775722 398237762 /nfs/dbraw/zinc/23/77/62/398237762.db2.gz ZUJBQMXSZWRNJF-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000336775722 398237764 /nfs/dbraw/zinc/23/77/64/398237764.db2.gz ZUJBQMXSZWRNJF-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CCC(CC)C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336756191 168364255 /nfs/dbraw/zinc/36/42/55/168364255.db2.gz IPMVIYZOEHFVLJ-AAEUAGOBSA-N 2 2 212.381 2.352 10 0 BEAELP CCC(CC)C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336756191 168364258 /nfs/dbraw/zinc/36/42/58/168364258.db2.gz IPMVIYZOEHFVLJ-AAEUAGOBSA-N 2 2 212.381 2.352 10 0 BEAELP Cc1cc2[nH+]cn([C@@H](C)C[NH3+])c2cc1C ZINC000043513993 178305246 /nfs/dbraw/zinc/30/52/46/178305246.db2.gz GLJIVELIZIMWLS-JTQLQIEISA-N 2 2 203.289 2.173 10 0 BEAELP Cc1ccc(-c2c[nH]c(CCC[NH3+])[nH+]2)cc1 ZINC000036876238 178329493 /nfs/dbraw/zinc/32/94/93/178329493.db2.gz LTVBPZJNOVRESR-UHFFFAOYSA-N 2 2 215.300 2.276 10 0 BEAELP C[N@H+](C[C@H]1CCCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000381689953 398269491 /nfs/dbraw/zinc/26/94/91/398269491.db2.gz NIWPMTUNWILPLW-MNOVXSKESA-N 2 2 232.318 2.106 10 0 BEAELP C[N@@H+](C[C@H]1CCCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000381689953 398269492 /nfs/dbraw/zinc/26/94/92/398269492.db2.gz NIWPMTUNWILPLW-MNOVXSKESA-N 2 2 232.318 2.106 10 0 BEAELP CCC(CC)[NH2+]C[C@@H](C)[N@H+](CCOC)C1CC1 ZINC000053496510 168388780 /nfs/dbraw/zinc/38/87/80/168388780.db2.gz UUYRADGNHXDJGP-GFCCVEGCSA-N 2 2 242.407 2.264 10 0 BEAELP CCC(CC)[NH2+]C[C@@H](C)[N@@H+](CCOC)C1CC1 ZINC000053496510 168388781 /nfs/dbraw/zinc/38/87/81/168388781.db2.gz UUYRADGNHXDJGP-GFCCVEGCSA-N 2 2 242.407 2.264 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)C)C1 ZINC000390433702 539021643 /nfs/dbraw/zinc/02/16/43/539021643.db2.gz QXOGSGYFGZDBJM-MJBXVCDLSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)C)C1 ZINC000390433702 539021644 /nfs/dbraw/zinc/02/16/44/539021644.db2.gz QXOGSGYFGZDBJM-MJBXVCDLSA-N 2 2 224.392 2.495 10 0 BEAELP CC[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000036169905 342894433 /nfs/dbraw/zinc/89/44/33/342894433.db2.gz QKUZXINKXBMKQA-QWHCGFSZSA-N 2 2 212.381 2.482 10 0 BEAELP CC[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000036169905 342894435 /nfs/dbraw/zinc/89/44/35/342894435.db2.gz QKUZXINKXBMKQA-QWHCGFSZSA-N 2 2 212.381 2.482 10 0 BEAELP CCc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)s1 ZINC000234159418 342917253 /nfs/dbraw/zinc/91/72/53/342917253.db2.gz BDHYIKXLRKRZQV-SKDRFNHKSA-N 2 2 224.373 2.090 10 0 BEAELP CCc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)s1 ZINC000234159418 342917254 /nfs/dbraw/zinc/91/72/54/342917254.db2.gz BDHYIKXLRKRZQV-SKDRFNHKSA-N 2 2 224.373 2.090 10 0 BEAELP CCOc1ccccc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946254 343013099 /nfs/dbraw/zinc/01/30/99/343013099.db2.gz VSVWINIBTLRPMH-UHFFFAOYSA-N 2 2 245.326 2.141 10 0 BEAELP CCOc1ccccc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946254 343013101 /nfs/dbraw/zinc/01/31/01/343013101.db2.gz VSVWINIBTLRPMH-UHFFFAOYSA-N 2 2 245.326 2.141 10 0 BEAELP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1nccs1 ZINC000400697998 529651294 /nfs/dbraw/zinc/65/12/94/529651294.db2.gz JNOGJQOYNDEYKS-DCAQKATOSA-N 2 2 239.388 2.182 10 0 BEAELP C[C@H]1Cc2ccsc2C2(CC[NH+](C)CC2)[NH2+]1 ZINC000584883872 343087033 /nfs/dbraw/zinc/08/70/33/343087033.db2.gz TYGRBWIKAGRAJY-JTQLQIEISA-N 2 2 236.384 2.203 10 0 BEAELP Cc1cccc(N[C@@H](C[NH3+])CC(C)C)[nH+]1 ZINC000082593094 343449945 /nfs/dbraw/zinc/44/99/45/343449945.db2.gz SVCUFCOONUJWEF-LLVKDONJSA-N 2 2 207.321 2.175 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000308953574 346942382 /nfs/dbraw/zinc/94/23/82/346942382.db2.gz YKVHLJSKVFIJGO-FVCCEPFGSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000308953574 346942384 /nfs/dbraw/zinc/94/23/84/346942384.db2.gz YKVHLJSKVFIJGO-FVCCEPFGSA-N 2 2 210.365 2.105 10 0 BEAELP CC(C)(C)[NH+]1CCC(c2ccc(N)[nH+]c2)CC1 ZINC000616619081 343523418 /nfs/dbraw/zinc/52/34/18/343523418.db2.gz BJFAWEROLPOLGU-UHFFFAOYSA-N 2 2 233.359 2.472 10 0 BEAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cccc(CO)c1 ZINC000616624937 343524743 /nfs/dbraw/zinc/52/47/43/343524743.db2.gz SXNFNGDOCIUOGQ-OAHLLOKOSA-N 2 2 248.370 2.055 10 0 BEAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cccc(CO)c1 ZINC000616624937 343524746 /nfs/dbraw/zinc/52/47/46/343524746.db2.gz SXNFNGDOCIUOGQ-OAHLLOKOSA-N 2 2 248.370 2.055 10 0 BEAELP CC[NH+]1CCC2(CC1)[NH2+]CCc1ccsc12 ZINC000712574358 537790950 /nfs/dbraw/zinc/79/09/50/537790950.db2.gz CBZIMWPNUPWCED-UHFFFAOYSA-N 2 2 236.384 2.205 10 0 BEAELP C[C@H]1C[C@]2(CC[N@@H+]1C)[NH2+]CCc1ccsc12 ZINC000712553348 537792329 /nfs/dbraw/zinc/79/23/29/537792329.db2.gz RCSQXFGBYHOGMZ-GWCFXTLKSA-N 2 2 236.384 2.203 10 0 BEAELP C[C@H]1C[C@]2(CC[N@H+]1C)[NH2+]CCc1ccsc12 ZINC000712553348 537792337 /nfs/dbraw/zinc/79/23/37/537792337.db2.gz RCSQXFGBYHOGMZ-GWCFXTLKSA-N 2 2 236.384 2.203 10 0 BEAELP C[C@H]1C[NH2+]C[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000401832737 343735972 /nfs/dbraw/zinc/73/59/72/343735972.db2.gz JLZZTIWHHRYUPG-OCCSQVGLSA-N 2 2 218.344 2.116 10 0 BEAELP C[C@H]1C[NH2+]C[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000401832737 343735974 /nfs/dbraw/zinc/73/59/74/343735974.db2.gz JLZZTIWHHRYUPG-OCCSQVGLSA-N 2 2 218.344 2.116 10 0 BEAELP CCC[C@@H](C)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000133138308 344314133 /nfs/dbraw/zinc/31/41/33/344314133.db2.gz RWGRUPSTUBZCAR-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[C@@H](C)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000133138308 344314137 /nfs/dbraw/zinc/31/41/37/344314137.db2.gz RWGRUPSTUBZCAR-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[C@H](C)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000133138535 344314465 /nfs/dbraw/zinc/31/44/65/344314465.db2.gz RWGRUPSTUBZCAR-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[C@H](C)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000133138535 344314467 /nfs/dbraw/zinc/31/44/67/344314467.db2.gz RWGRUPSTUBZCAR-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP C[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044683803 187293169 /nfs/dbraw/zinc/29/31/69/187293169.db2.gz MCEHPZFJUMNZMR-YNEHKIRRSA-N 2 2 222.376 2.391 10 0 BEAELP C[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000044683803 187293171 /nfs/dbraw/zinc/29/31/71/187293171.db2.gz MCEHPZFJUMNZMR-YNEHKIRRSA-N 2 2 222.376 2.391 10 0 BEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000156228684 345140691 /nfs/dbraw/zinc/14/06/91/345140691.db2.gz KTQVYXOWFCGNCV-ZDUSSCGKSA-N 2 2 233.359 2.492 10 0 BEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000156228684 345140693 /nfs/dbraw/zinc/14/06/93/345140693.db2.gz KTQVYXOWFCGNCV-ZDUSSCGKSA-N 2 2 233.359 2.492 10 0 BEAELP CC(C)=CC[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000309526736 187309074 /nfs/dbraw/zinc/30/90/74/187309074.db2.gz COWNKVAHQKIKEN-LBPRGKRZSA-N 2 2 219.332 2.062 10 0 BEAELP C[C@@H]1CCCc2[nH+]c([C@@H]3CCC[NH2+]C3)cn21 ZINC000258246654 345782672 /nfs/dbraw/zinc/78/26/72/345782672.db2.gz HMLPXJGJQGOZAD-GHMZBOCLSA-N 2 2 219.332 2.247 10 0 BEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])n2cc[nH+]c2)s1 ZINC000043243435 178917777 /nfs/dbraw/zinc/91/77/77/178917777.db2.gz KAYLPQAAMOAYOE-KOLCDFICSA-N 2 2 221.329 2.190 10 0 BEAELP Cc1cccc(C)c1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000083356975 179037637 /nfs/dbraw/zinc/03/76/37/179037637.db2.gz ADRLZPKOZXIMCE-UHFFFAOYSA-N 2 2 229.327 2.359 10 0 BEAELP Cc1cccc(C)c1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000083356975 179037639 /nfs/dbraw/zinc/03/76/39/179037639.db2.gz ADRLZPKOZXIMCE-UHFFFAOYSA-N 2 2 229.327 2.359 10 0 BEAELP Cc1cccc(OCC[C@H](C[NH3+])[NH+]2CCCC2)c1 ZINC000019664424 179169455 /nfs/dbraw/zinc/16/94/55/179169455.db2.gz OYAVMOPLUPGPSG-CQSZACIVSA-N 2 2 248.370 2.187 10 0 BEAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CCCOCC2)c1 ZINC000061914197 179188270 /nfs/dbraw/zinc/18/82/70/179188270.db2.gz UPOGXHKVUKWUOM-UKRRQHHQSA-N 2 2 248.370 2.106 10 0 BEAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CCCOCC2)c1 ZINC000061914197 179188272 /nfs/dbraw/zinc/18/82/72/179188272.db2.gz UPOGXHKVUKWUOM-UKRRQHHQSA-N 2 2 248.370 2.106 10 0 BEAELP C[N@@H+]1CCCC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000250625887 362813310 /nfs/dbraw/zinc/81/33/10/362813310.db2.gz QCBIQUCYHQZHNA-GHMZBOCLSA-N 2 2 210.346 2.232 10 0 BEAELP C[N@H+]1CCCC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000250625887 362813312 /nfs/dbraw/zinc/81/33/12/362813312.db2.gz QCBIQUCYHQZHNA-GHMZBOCLSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H]1CC[N@@H+]([C@H](C[NH3+])c2cccs2)C1 ZINC000251813292 362928276 /nfs/dbraw/zinc/92/82/76/362928276.db2.gz YZGBRMQWPMUJNZ-NXEZZACHSA-N 2 2 210.346 2.090 10 0 BEAELP C[C@@H]1CC[N@H+]([C@H](C[NH3+])c2cccs2)C1 ZINC000251813292 362928280 /nfs/dbraw/zinc/92/82/80/362928280.db2.gz YZGBRMQWPMUJNZ-NXEZZACHSA-N 2 2 210.346 2.090 10 0 BEAELP Cc1ccsc1[C@@H]([C@H](C)[NH3+])n1cc[nH+]c1 ZINC000043249104 179553755 /nfs/dbraw/zinc/55/37/55/179553755.db2.gz AIPIGLZPFYCUSN-VHSXEESVSA-N 2 2 221.329 2.190 10 0 BEAELP CC[C@H](C)[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 ZINC000616578436 349124336 /nfs/dbraw/zinc/12/43/36/349124336.db2.gz OIBAFDPABFARDA-JQWIXIFHSA-N 2 2 208.349 2.001 10 0 BEAELP CC[C@H](C)c1[nH+]c2c(n1C)[C@@H]([NH3+])CCC2 ZINC000725253378 538037796 /nfs/dbraw/zinc/03/77/96/538037796.db2.gz JRVUMDZGUVFQLS-IUCAKERBSA-N 2 2 207.321 2.270 10 0 BEAELP CC(C)(C)[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 ZINC000616580573 349258138 /nfs/dbraw/zinc/25/81/38/349258138.db2.gz YKAQCSQOULIHNO-LLVKDONJSA-N 2 2 208.349 2.001 10 0 BEAELP C[C@@H]1CCC[N@H+](Cc2csc(C[NH3+])n2)[C@H]1C ZINC000251557341 538047699 /nfs/dbraw/zinc/04/76/99/538047699.db2.gz AEEQRUVKWMIWGF-ZJUUUORDSA-N 2 2 239.388 2.222 10 0 BEAELP C[C@@H]1CCC[N@@H+](Cc2csc(C[NH3+])n2)[C@H]1C ZINC000251557341 538047711 /nfs/dbraw/zinc/04/77/11/538047711.db2.gz AEEQRUVKWMIWGF-ZJUUUORDSA-N 2 2 239.388 2.222 10 0 BEAELP Cc1[nH]c2ccc(NCc3[nH]cc[nH+]3)cc2[nH+]1 ZINC000049715400 180083552 /nfs/dbraw/zinc/08/35/52/180083552.db2.gz UQSBRTMZGXQKPQ-UHFFFAOYSA-N 2 2 227.271 2.207 10 0 BEAELP Cc1nc(N[C@@H](CC(C)C)C[NH+](C)C)cc[nH+]1 ZINC000054936290 180202828 /nfs/dbraw/zinc/20/28/28/180202828.db2.gz MQQGMSTWIOLTIP-LBPRGKRZSA-N 2 2 236.363 2.173 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000040502398 350369990 /nfs/dbraw/zinc/36/99/90/350369990.db2.gz PUJIJMPOGYWNFL-CYBMUJFWSA-N 2 2 210.365 2.393 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000040502398 350369997 /nfs/dbraw/zinc/36/99/97/350369997.db2.gz PUJIJMPOGYWNFL-CYBMUJFWSA-N 2 2 210.365 2.393 10 0 BEAELP Cc1c(N)c[nH+]cc1C1=CC[C@@]2(C[C@H]2[NH3+])CC1 ZINC000725265118 538093392 /nfs/dbraw/zinc/09/33/92/538093392.db2.gz GXTHDMZKUGOETO-KGLIPLIRSA-N 2 2 229.327 2.257 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cccc2cnccc21 ZINC000616606592 350798054 /nfs/dbraw/zinc/79/80/54/350798054.db2.gz CYIBWFXUFNKQSR-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1cccc2cnccc21 ZINC000616606592 350798055 /nfs/dbraw/zinc/79/80/55/350798055.db2.gz CYIBWFXUFNKQSR-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP CNc1cccc([C@@H]2CCCC[N@@H+]2CC[NH3+])c1 ZINC000616615895 350850403 /nfs/dbraw/zinc/85/04/03/350850403.db2.gz DWYOSRKLVVIBRW-AWEZNQCLSA-N 2 2 233.359 2.214 10 0 BEAELP CNc1cccc([C@@H]2CCCC[N@H+]2CC[NH3+])c1 ZINC000616615895 350850407 /nfs/dbraw/zinc/85/04/07/350850407.db2.gz DWYOSRKLVVIBRW-AWEZNQCLSA-N 2 2 233.359 2.214 10 0 BEAELP CNc1ccc([C@@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616616185 350854283 /nfs/dbraw/zinc/85/42/83/350854283.db2.gz KVUPUQQFSRREMD-AWEZNQCLSA-N 2 2 233.359 2.214 10 0 BEAELP CNc1ccc([C@@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616616185 350854286 /nfs/dbraw/zinc/85/42/86/350854286.db2.gz KVUPUQQFSRREMD-AWEZNQCLSA-N 2 2 233.359 2.214 10 0 BEAELP CC(C)[NH+]1CCC(c2ccc[nH+]c2N)CC1 ZINC000616619617 350927740 /nfs/dbraw/zinc/92/77/40/350927740.db2.gz SFKJWWNZESULFB-UHFFFAOYSA-N 2 2 219.332 2.252 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccnc2ccccc21 ZINC000616635023 351117771 /nfs/dbraw/zinc/11/77/71/351117771.db2.gz ZYLVXUGAUGJSJU-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H]1c1ccnc2ccccc21 ZINC000616635023 351117774 /nfs/dbraw/zinc/11/77/74/351117774.db2.gz ZYLVXUGAUGJSJU-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cccc(CO)c1 ZINC000616625674 351094628 /nfs/dbraw/zinc/09/46/28/351094628.db2.gz SXNFNGDOCIUOGQ-HNNXBMFYSA-N 2 2 248.370 2.055 10 0 BEAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cccc(CO)c1 ZINC000616625674 351094630 /nfs/dbraw/zinc/09/46/30/351094630.db2.gz SXNFNGDOCIUOGQ-HNNXBMFYSA-N 2 2 248.370 2.055 10 0 BEAELP C[C@H]1CCC[N@@H+]1[C@H](C[NH3+])c1ccsc1 ZINC000252194467 363210042 /nfs/dbraw/zinc/21/00/42/363210042.db2.gz SDMAHBJAIMFVAY-GXSJLCMTSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H]1CCC[N@H+]1[C@H](C[NH3+])c1ccsc1 ZINC000252194467 363210043 /nfs/dbraw/zinc/21/00/43/363210043.db2.gz SDMAHBJAIMFVAY-GXSJLCMTSA-N 2 2 210.346 2.232 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)Nc1ccc(N)c[nH+]1 ZINC000049555056 188298349 /nfs/dbraw/zinc/29/83/49/188298349.db2.gz UXIYNGBGXOIWHP-GFCCVEGCSA-N 2 2 236.363 2.052 10 0 BEAELP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309335020 188302033 /nfs/dbraw/zinc/30/20/33/188302033.db2.gz IUWLNTUSETVYNW-QWHCGFSZSA-N 2 2 230.371 2.445 10 0 BEAELP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309335020 188302035 /nfs/dbraw/zinc/30/20/35/188302035.db2.gz IUWLNTUSETVYNW-QWHCGFSZSA-N 2 2 230.371 2.445 10 0 BEAELP CC(C)C[C@@H](C)[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000019946634 188351639 /nfs/dbraw/zinc/35/16/39/188351639.db2.gz RKMZQTBJYNFYJA-DGCLKSJQSA-N 2 2 210.365 2.105 10 0 BEAELP C[C@@H]1CCC[N@@H+]1[C@H](C[NH3+])c1cccs1 ZINC000252215992 363221363 /nfs/dbraw/zinc/22/13/63/363221363.db2.gz XROIELXLESQYES-NXEZZACHSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H]1CCC[N@H+]1[C@H](C[NH3+])c1cccs1 ZINC000252215992 363221365 /nfs/dbraw/zinc/22/13/65/363221365.db2.gz XROIELXLESQYES-NXEZZACHSA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC2(C)CCC2)C1 ZINC000309058389 491087296 /nfs/dbraw/zinc/08/72/96/491087296.db2.gz VMWJJFVWWZJFLU-GFCCVEGCSA-N 2 2 210.365 2.251 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+]CC2(C)CCC2)C1 ZINC000309058389 491087298 /nfs/dbraw/zinc/08/72/98/491087298.db2.gz VMWJJFVWWZJFLU-GFCCVEGCSA-N 2 2 210.365 2.251 10 0 BEAELP C[N@H+]1CC[C@H]2CC[NH+](CC3(C)CCC3)[C@H]2C1 ZINC000336138268 134096573 /nfs/dbraw/zinc/09/65/73/134096573.db2.gz LPOXTYGRQMSUSW-STQMWFEESA-N 2 2 222.376 2.203 10 0 BEAELP C[NH+]1CC[C@H]2CC[N@H+](CC3(C)CCC3)[C@H]2C1 ZINC000336138268 134096574 /nfs/dbraw/zinc/09/65/74/134096574.db2.gz LPOXTYGRQMSUSW-STQMWFEESA-N 2 2 222.376 2.203 10 0 BEAELP C[NH+]1CC[C@H]2CC[N@@H+](CC3(C)CCC3)[C@H]2C1 ZINC000336138268 134096575 /nfs/dbraw/zinc/09/65/75/134096575.db2.gz LPOXTYGRQMSUSW-STQMWFEESA-N 2 2 222.376 2.203 10 0 BEAELP CC(C)[NH+](CC12CCC(CC1)[NH2+]2)C(C)C ZINC000675055864 538477111 /nfs/dbraw/zinc/47/71/11/538477111.db2.gz AHXYHENIQVJZQR-UHFFFAOYSA-N 2 2 210.365 2.390 10 0 BEAELP C[C@H]1CCC[N@H+](CC23CCC(CC2)[NH2+]3)C1 ZINC000675056241 538477975 /nfs/dbraw/zinc/47/79/75/538477975.db2.gz MZBIBULHADXDSP-HIFPTAJRSA-N 2 2 208.349 2.003 10 0 BEAELP C[C@H]1CCC[N@@H+](CC23CCC(CC2)[NH2+]3)C1 ZINC000675056241 538477979 /nfs/dbraw/zinc/47/79/79/538477979.db2.gz MZBIBULHADXDSP-HIFPTAJRSA-N 2 2 208.349 2.003 10 0 BEAELP C[C@H]([NH3+])CCNc1ccc2ccccc2[nH+]1 ZINC000063171792 357552718 /nfs/dbraw/zinc/55/27/18/357552718.db2.gz OEBBZUCIZDZBJR-JTQLQIEISA-N 2 2 215.300 2.384 10 0 BEAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000191568415 357785858 /nfs/dbraw/zinc/78/58/58/357785858.db2.gz CSRLTBASIBZPKF-OAHLLOKOSA-N 2 2 247.386 2.171 10 0 BEAELP CC(C)[NH2+]CC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000191568415 357785862 /nfs/dbraw/zinc/78/58/62/357785862.db2.gz CSRLTBASIBZPKF-OAHLLOKOSA-N 2 2 247.386 2.171 10 0 BEAELP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000132518477 491136485 /nfs/dbraw/zinc/13/64/85/491136485.db2.gz OSXUCEAXSCLGOA-UPJWGTAASA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000132518477 491136486 /nfs/dbraw/zinc/13/64/86/491136486.db2.gz OSXUCEAXSCLGOA-UPJWGTAASA-N 2 2 210.365 2.249 10 0 BEAELP CC(C)CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177100453 134297286 /nfs/dbraw/zinc/29/72/86/134297286.db2.gz HTLYCVISIKSQSL-ZDUSSCGKSA-N 2 2 221.348 2.394 10 0 BEAELP CC(C)CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177100453 134297287 /nfs/dbraw/zinc/29/72/87/134297287.db2.gz HTLYCVISIKSQSL-ZDUSSCGKSA-N 2 2 221.348 2.394 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H](Nc2cc(C)cc[nH+]2)C1 ZINC000309668622 491154279 /nfs/dbraw/zinc/15/42/79/491154279.db2.gz VEPFCSGTWUEDRY-VXGBXAGGSA-N 2 2 219.332 2.142 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H](Nc2cc(C)cc[nH+]2)C1 ZINC000309668622 491154280 /nfs/dbraw/zinc/15/42/80/491154280.db2.gz VEPFCSGTWUEDRY-VXGBXAGGSA-N 2 2 219.332 2.142 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@H](C)CC2CCC2)[C@@H](C)C1 ZINC000309975088 491159189 /nfs/dbraw/zinc/15/91/89/491159189.db2.gz SCYQNWHKTVGTAA-SCRDCRAPSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CC2CCC2)[C@@H](C)C1 ZINC000309975088 491159190 /nfs/dbraw/zinc/15/91/90/491159190.db2.gz SCYQNWHKTVGTAA-SCRDCRAPSA-N 2 2 224.392 2.495 10 0 BEAELP [NH3+]CCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000037713348 181383130 /nfs/dbraw/zinc/38/31/30/181383130.db2.gz SMDQKBWLNVEWIN-AWEZNQCLSA-N 2 2 230.311 2.307 10 0 BEAELP [NH3+]CC[N@@H+](Cc1cccnc1)CC1CCCCC1 ZINC000076633100 181390053 /nfs/dbraw/zinc/39/00/53/181390053.db2.gz ZEPGHUVMXGXYIU-UHFFFAOYSA-N 2 2 247.386 2.423 10 0 BEAELP [NH3+]CC[N@H+](Cc1cccnc1)CC1CCCCC1 ZINC000076633100 181390054 /nfs/dbraw/zinc/39/00/54/181390054.db2.gz ZEPGHUVMXGXYIU-UHFFFAOYSA-N 2 2 247.386 2.423 10 0 BEAELP [NH3+]CC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000062620186 181397365 /nfs/dbraw/zinc/39/73/65/181397365.db2.gz FPTNMCSDBAYRPG-LLVKDONJSA-N 2 2 240.734 2.102 10 0 BEAELP C[C@H](c1nccs1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380701166 367282174 /nfs/dbraw/zinc/28/21/74/367282174.db2.gz KWNUUKQKMXDYJG-CKYFFXLPSA-N 2 2 239.388 2.121 10 0 BEAELP C[C@H](c1nccs1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380701166 367282176 /nfs/dbraw/zinc/28/21/76/367282176.db2.gz KWNUUKQKMXDYJG-CKYFFXLPSA-N 2 2 239.388 2.121 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC000381315550 367379851 /nfs/dbraw/zinc/37/98/51/367379851.db2.gz UZRCNCQHYQJITL-GFCCVEGCSA-N 2 2 224.373 2.240 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC000381315550 367379856 /nfs/dbraw/zinc/37/98/56/367379856.db2.gz UZRCNCQHYQJITL-GFCCVEGCSA-N 2 2 224.373 2.240 10 0 BEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC000147523276 368351113 /nfs/dbraw/zinc/35/11/13/368351113.db2.gz BYDOZJQQICNGSG-XBFCOCLRSA-N 2 2 216.328 2.041 10 0 BEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC000147523276 368351115 /nfs/dbraw/zinc/35/11/15/368351115.db2.gz BYDOZJQQICNGSG-XBFCOCLRSA-N 2 2 216.328 2.041 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000623870784 371134598 /nfs/dbraw/zinc/13/45/98/371134598.db2.gz MUGLNCRXRODEAN-HZSPNIEDSA-N 2 2 240.391 2.018 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000623870784 371134601 /nfs/dbraw/zinc/13/46/01/371134601.db2.gz MUGLNCRXRODEAN-HZSPNIEDSA-N 2 2 240.391 2.018 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000623870787 371134734 /nfs/dbraw/zinc/13/47/34/371134734.db2.gz MUGLNCRXRODEAN-RDBSUJKOSA-N 2 2 240.391 2.018 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000623870787 371134738 /nfs/dbraw/zinc/13/47/38/371134738.db2.gz MUGLNCRXRODEAN-RDBSUJKOSA-N 2 2 240.391 2.018 10 0 BEAELP COc1ccc(C)cc1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040672766 373591147 /nfs/dbraw/zinc/59/11/47/373591147.db2.gz KDWDIQOJRKSLJC-AWEZNQCLSA-N 2 2 248.370 2.187 10 0 BEAELP COc1ccc(C)cc1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040672766 373591153 /nfs/dbraw/zinc/59/11/53/373591153.db2.gz KDWDIQOJRKSLJC-AWEZNQCLSA-N 2 2 248.370 2.187 10 0 BEAELP CCCC[C@H]([NH3+])C[N@H+](CC)Cc1ccncc1 ZINC000042516922 169009304 /nfs/dbraw/zinc/00/93/04/169009304.db2.gz WYLLVACYVOZFEY-AWEZNQCLSA-N 2 2 235.375 2.421 10 0 BEAELP CCCC[C@H]([NH3+])C[N@@H+](CC)Cc1ccncc1 ZINC000042516922 169009305 /nfs/dbraw/zinc/00/93/05/169009305.db2.gz WYLLVACYVOZFEY-AWEZNQCLSA-N 2 2 235.375 2.421 10 0 BEAELP CCC[N@H+](C)[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042960735 169086867 /nfs/dbraw/zinc/08/68/67/169086867.db2.gz WAGIAVCSLYQGLO-BXUZGUMPSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[N@@H+](C)[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042960735 169086869 /nfs/dbraw/zinc/08/68/69/169086869.db2.gz WAGIAVCSLYQGLO-BXUZGUMPSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccccc1OCC ZINC000020226158 169087132 /nfs/dbraw/zinc/08/71/32/169087132.db2.gz KVXQGZSHIZXKPW-ZDUSSCGKSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1ccccc1OCC ZINC000020226158 169087135 /nfs/dbraw/zinc/08/71/35/169087135.db2.gz KVXQGZSHIZXKPW-ZDUSSCGKSA-N 2 2 236.359 2.427 10 0 BEAELP CCCN(C)c1[nH+]c(C)cc(C)c1C[NH3+] ZINC000040509392 169089923 /nfs/dbraw/zinc/08/99/23/169089923.db2.gz PRPRTNBDPUEWFS-UHFFFAOYSA-N 2 2 207.321 2.003 10 0 BEAELP CCCN(CCC[NH3+])c1cn[nH+]c2ccccc21 ZINC000104123742 169155483 /nfs/dbraw/zinc/15/54/83/169155483.db2.gz VJHNCDMZJNWJDF-UHFFFAOYSA-N 2 2 244.342 2.195 10 0 BEAELP CCC[N@H+](CC[NH3+])Cc1c[nH]c2ccccc12 ZINC000076614744 169157180 /nfs/dbraw/zinc/15/71/80/169157180.db2.gz OMMZIXFSWWBPCC-UHFFFAOYSA-N 2 2 231.343 2.339 10 0 BEAELP CCC[N@@H+](CC[NH3+])Cc1c[nH]c2ccccc12 ZINC000076614744 169157181 /nfs/dbraw/zinc/15/71/81/169157181.db2.gz OMMZIXFSWWBPCC-UHFFFAOYSA-N 2 2 231.343 2.339 10 0 BEAELP CCC[N@H+]([C@@H](C)c1ccncc1)[C@@H]1CC[NH2+]C1 ZINC000071314492 169181676 /nfs/dbraw/zinc/18/16/76/169181676.db2.gz GMQSIJGDYBOQSB-GXTWGEPZSA-N 2 2 233.359 2.217 10 0 BEAELP CCC[N@@H+]([C@@H](C)c1ccncc1)[C@@H]1CC[NH2+]C1 ZINC000071314492 169181678 /nfs/dbraw/zinc/18/16/78/169181678.db2.gz GMQSIJGDYBOQSB-GXTWGEPZSA-N 2 2 233.359 2.217 10 0 BEAELP c1cc2cccc(C[NH2+]CCc3c[nH]c[nH+]3)c2[nH]1 ZINC000083368481 183350109 /nfs/dbraw/zinc/35/01/09/183350109.db2.gz QOLFVCACBJEKBK-UHFFFAOYSA-N 2 2 240.310 2.223 10 0 BEAELP c1cc2cccc(C[NH2+]CCc3c[nH+]c[nH]3)c2[nH]1 ZINC000083368481 183350112 /nfs/dbraw/zinc/35/01/12/183350112.db2.gz QOLFVCACBJEKBK-UHFFFAOYSA-N 2 2 240.310 2.223 10 0 BEAELP CCC[NH2+]CC(CC)(CC)C[NH+]1CCOCC1 ZINC000051208324 169256865 /nfs/dbraw/zinc/25/68/65/169256865.db2.gz AMFLSAGNBXTTCT-UHFFFAOYSA-N 2 2 242.407 2.125 10 0 BEAELP CCC[NH2+]Cc1sc(C[NH+](C)C)nc1CC ZINC000082425493 169269159 /nfs/dbraw/zinc/26/91/59/169269159.db2.gz NANIOFQDCKWGCF-UHFFFAOYSA-N 2 2 241.404 2.267 10 0 BEAELP CCCO[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]2)C1 ZINC000042425470 169312433 /nfs/dbraw/zinc/31/24/33/169312433.db2.gz UOVLKWRGZLBMDH-UONOGXRCSA-N 2 2 240.391 2.020 10 0 BEAELP CCCO[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]2)C1 ZINC000042425470 169312434 /nfs/dbraw/zinc/31/24/34/169312434.db2.gz UOVLKWRGZLBMDH-UONOGXRCSA-N 2 2 240.391 2.020 10 0 BEAELP CCCO[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000042425477 169312814 /nfs/dbraw/zinc/31/28/14/169312814.db2.gz QNLDLBJGPCNSEF-KGLIPLIRSA-N 2 2 242.407 2.251 10 0 BEAELP CCCO[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000042425477 169312816 /nfs/dbraw/zinc/31/28/16/169312816.db2.gz QNLDLBJGPCNSEF-KGLIPLIRSA-N 2 2 242.407 2.251 10 0 BEAELP CCCOc1ccc([C@@H](C[NH3+])[NH2+]C(C)C)cc1 ZINC000052920125 169320723 /nfs/dbraw/zinc/32/07/23/169320723.db2.gz GNIFUQYSKOPKNL-CQSZACIVSA-N 2 2 236.359 2.473 10 0 BEAELP CCCOc1ccc([C@H]([C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000071547424 169322562 /nfs/dbraw/zinc/32/25/62/169322562.db2.gz XJAFDMNGPANFNY-RISCZKNCSA-N 2 2 236.359 2.425 10 0 BEAELP CN(C[C@@H]1CCCC[NH2+]1)c1[nH]c2ccccc2[nH+]1 ZINC000095070840 384339543 /nfs/dbraw/zinc/33/95/43/384339543.db2.gz KJFJNOULPOCHIS-NSHDSACASA-N 2 2 244.342 2.141 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH3+])c1ccccn1 ZINC000095068316 384330947 /nfs/dbraw/zinc/33/09/47/384330947.db2.gz JCWKVGUESLPLOG-GMXVVIOVSA-N 2 2 219.332 2.002 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000044469536 384733032 /nfs/dbraw/zinc/73/30/32/384733032.db2.gz MAXAAORCIUQUFU-QMMMGPOBSA-N 2 2 238.640 2.317 10 0 BEAELP C[N@H+](CC[NH3+])[C@@H]1CCCc2sccc21 ZINC000061330066 385113891 /nfs/dbraw/zinc/11/38/91/385113891.db2.gz RQRQPLSBXJINQF-SNVBAGLBSA-N 2 2 210.346 2.016 10 0 BEAELP C[N@@H+](CC[NH3+])[C@@H]1CCCc2sccc21 ZINC000061330066 385113895 /nfs/dbraw/zinc/11/38/95/385113895.db2.gz RQRQPLSBXJINQF-SNVBAGLBSA-N 2 2 210.346 2.016 10 0 BEAELP C[C@H](C[NH2+][C@H]1CCC[C@@H]1CCF)[NH+](C)C ZINC000308890897 385244943 /nfs/dbraw/zinc/24/49/43/385244943.db2.gz XOQAXJKCBLUUEA-UTUOFQBUSA-N 2 2 216.344 2.054 10 0 BEAELP Cc1ccc(CCC[NH2+][C@H]2C[C@H]2C)c[nH+]1 ZINC000309161812 385443837 /nfs/dbraw/zinc/44/38/37/385443837.db2.gz ZKRGGQZCGMWPJT-MFKMUULPSA-N 2 2 204.317 2.321 10 0 BEAELP CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)(C)C ZINC000336654239 385721115 /nfs/dbraw/zinc/72/11/15/385721115.db2.gz MRPRYQLQMMHVRG-WDEREUQCSA-N 2 2 200.370 2.351 10 0 BEAELP CC[C@@H](C)C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000309696614 385798205 /nfs/dbraw/zinc/79/82/05/385798205.db2.gz LEDIEYPRUPFETC-NEPJUHHUSA-N 2 2 221.348 2.396 10 0 BEAELP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000336720879 385889000 /nfs/dbraw/zinc/88/90/00/385889000.db2.gz ZHYRTXBMELPBQV-MROQNXINSA-N 2 2 242.432 2.199 10 0 BEAELP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000336720879 385889003 /nfs/dbraw/zinc/88/90/03/385889003.db2.gz ZHYRTXBMELPBQV-MROQNXINSA-N 2 2 242.432 2.199 10 0 BEAELP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000336720882 385889533 /nfs/dbraw/zinc/88/95/33/385889533.db2.gz ZHYRTXBMELPBQV-ZDEQEGDKSA-N 2 2 242.432 2.199 10 0 BEAELP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000336720882 385889538 /nfs/dbraw/zinc/88/95/38/385889538.db2.gz ZHYRTXBMELPBQV-ZDEQEGDKSA-N 2 2 242.432 2.199 10 0 BEAELP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000336770231 386010436 /nfs/dbraw/zinc/01/04/36/386010436.db2.gz VKWFQQKELARCOF-UPJWGTAASA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000336770807 386028927 /nfs/dbraw/zinc/02/89/27/386028927.db2.gz VYLRVWBIKZTKCF-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000336770807 386028931 /nfs/dbraw/zinc/02/89/31/386028931.db2.gz VYLRVWBIKZTKCF-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCCCC2)C1 ZINC000319434314 386624931 /nfs/dbraw/zinc/62/49/31/386624931.db2.gz KMTHEZWMSXPDCT-ZDUSSCGKSA-N 2 2 240.391 2.020 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCCCC2)C1 ZINC000319434314 386624936 /nfs/dbraw/zinc/62/49/36/386624936.db2.gz KMTHEZWMSXPDCT-ZDUSSCGKSA-N 2 2 240.391 2.020 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000323994743 386956762 /nfs/dbraw/zinc/95/67/62/386956762.db2.gz LZRXAUNDRPSIMJ-QWHCGFSZSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000323994743 386956769 /nfs/dbraw/zinc/95/67/69/386956769.db2.gz LZRXAUNDRPSIMJ-QWHCGFSZSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000418090401 387098777 /nfs/dbraw/zinc/09/87/77/387098777.db2.gz CMXJJBNMCSWNCR-OWCLPIDISA-N 2 2 244.382 2.474 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000418090401 387098780 /nfs/dbraw/zinc/09/87/80/387098780.db2.gz CMXJJBNMCSWNCR-OWCLPIDISA-N 2 2 244.382 2.474 10 0 BEAELP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000252116839 387219987 /nfs/dbraw/zinc/21/99/87/387219987.db2.gz KHTYPFSDARRSGL-KBMXLJTQSA-N 2 2 244.382 2.301 10 0 BEAELP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000252116839 387219991 /nfs/dbraw/zinc/21/99/91/387219991.db2.gz KHTYPFSDARRSGL-KBMXLJTQSA-N 2 2 244.382 2.301 10 0 BEAELP C[NH2+]C[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000168721307 387904654 /nfs/dbraw/zinc/90/46/54/387904654.db2.gz XMHKTBGTVQXGFY-LBPRGKRZSA-N 2 2 241.338 2.281 10 0 BEAELP C[N@H+](Cc1cccs1)[C@H]1CCC[C@@H]1[NH3+] ZINC000040989286 388030851 /nfs/dbraw/zinc/03/08/51/388030851.db2.gz PXAZIACTDRVCIK-QWRGUYRKSA-N 2 2 210.346 2.060 10 0 BEAELP C[N@@H+](Cc1cccs1)[C@H]1CCC[C@@H]1[NH3+] ZINC000040989286 388030853 /nfs/dbraw/zinc/03/08/53/388030853.db2.gz PXAZIACTDRVCIK-QWRGUYRKSA-N 2 2 210.346 2.060 10 0 BEAELP CCSCC[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000164805044 388248291 /nfs/dbraw/zinc/24/82/91/388248291.db2.gz VQNCITFWJCXUFR-GFCCVEGCSA-N 2 2 232.437 2.305 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000246995695 388655701 /nfs/dbraw/zinc/65/57/01/388655701.db2.gz KJLAUFJWZIBWII-YPMHNXCESA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000246995695 388655705 /nfs/dbraw/zinc/65/57/05/388655705.db2.gz KJLAUFJWZIBWII-YPMHNXCESA-N 2 2 210.365 2.249 10 0 BEAELP CCC[C@H](C(=O)Nc1cc[nH+]c(C)c1)[NH+](C)C ZINC000126039612 388687681 /nfs/dbraw/zinc/68/76/81/388687681.db2.gz XLYYBBFYESSGLP-GFCCVEGCSA-N 2 2 235.331 2.059 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C)n2)[C@H](C)C1 ZINC000127236472 388718808 /nfs/dbraw/zinc/71/88/08/388718808.db2.gz PNBXBKBHDRNGRS-IUODEOHRSA-N 2 2 247.386 2.210 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C)n2)[C@H](C)C1 ZINC000127236472 388718810 /nfs/dbraw/zinc/71/88/10/388718810.db2.gz PNBXBKBHDRNGRS-IUODEOHRSA-N 2 2 247.386 2.210 10 0 BEAELP CCC[NH2+]C[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000053701595 132363119 /nfs/dbraw/zinc/36/31/19/132363119.db2.gz MRQRMLBECMCEEL-CYBMUJFWSA-N 2 2 248.374 2.001 10 0 BEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1c[nH+]ccc1C ZINC000071414321 132392410 /nfs/dbraw/zinc/39/24/10/132392410.db2.gz SULKAYXCEHCMEY-AGUYFDCRSA-N 2 2 245.370 2.499 10 0 BEAELP C[N@@H+]1CC[C@H]2CC[NH+](CC3(C)CCC3)[C@H]2C1 ZINC000336138268 134096572 /nfs/dbraw/zinc/09/65/72/134096572.db2.gz LPOXTYGRQMSUSW-STQMWFEESA-N 2 2 222.376 2.203 10 0 BEAELP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000217502131 134248979 /nfs/dbraw/zinc/24/89/79/134248979.db2.gz VNEZORRJPBYODI-WCQYABFASA-N 2 2 234.343 2.179 10 0 BEAELP COc1cccc([C@H](C)[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000217502131 134248980 /nfs/dbraw/zinc/24/89/80/134248980.db2.gz VNEZORRJPBYODI-WCQYABFASA-N 2 2 234.343 2.179 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000221033256 134318239 /nfs/dbraw/zinc/31/82/39/134318239.db2.gz GDEYBYFOSMAWJU-MELADBBJSA-N 2 2 240.391 2.003 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000221033256 134318240 /nfs/dbraw/zinc/31/82/40/134318240.db2.gz GDEYBYFOSMAWJU-MELADBBJSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@H]1CC[N@@H+](C2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000179586165 134322122 /nfs/dbraw/zinc/32/21/22/134322122.db2.gz FZCCVSNSGTYVTE-AAEUAGOBSA-N 2 2 219.332 2.319 10 0 BEAELP C[C@H]1CC[N@H+](C2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000179586165 134322123 /nfs/dbraw/zinc/32/21/23/134322123.db2.gz FZCCVSNSGTYVTE-AAEUAGOBSA-N 2 2 219.332 2.319 10 0 BEAELP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000070643719 135001753 /nfs/dbraw/zinc/00/17/53/135001753.db2.gz PKZKULUKLBDYCT-FRRDWIJNSA-N 2 2 222.376 2.391 10 0 BEAELP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000070643719 135001755 /nfs/dbraw/zinc/00/17/55/135001755.db2.gz PKZKULUKLBDYCT-FRRDWIJNSA-N 2 2 222.376 2.391 10 0 BEAELP CCC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248960130 135028052 /nfs/dbraw/zinc/02/80/52/135028052.db2.gz BWXYLWPEXUFDFJ-JSGCOSHPSA-N 2 2 249.358 2.135 10 0 BEAELP CCC(=O)CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248960130 135028053 /nfs/dbraw/zinc/02/80/53/135028053.db2.gz BWXYLWPEXUFDFJ-JSGCOSHPSA-N 2 2 249.358 2.135 10 0 BEAELP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381590593 397761880 /nfs/dbraw/zinc/76/18/80/397761880.db2.gz LITLLXCFUNTQPF-WDEREUQCSA-N 2 2 232.318 2.235 10 0 BEAELP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381590593 397761881 /nfs/dbraw/zinc/76/18/81/397761881.db2.gz LITLLXCFUNTQPF-WDEREUQCSA-N 2 2 232.318 2.235 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000120290658 397990515 /nfs/dbraw/zinc/99/05/15/397990515.db2.gz GLDSCMYJYQBWQM-SFTQSGBHSA-N 2 2 222.376 2.390 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000120290658 397990519 /nfs/dbraw/zinc/99/05/19/397990519.db2.gz GLDSCMYJYQBWQM-SFTQSGBHSA-N 2 2 222.376 2.390 10 0 BEAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(C2CCC2)CCC1 ZINC000649627596 398009195 /nfs/dbraw/zinc/00/91/95/398009195.db2.gz NOVCBGMNRJKWNQ-CYBMUJFWSA-N 2 2 222.376 2.393 10 0 BEAELP C[N@H+]1CCC[C@@H]1C[NH2+]C1(C2CCC2)CCC1 ZINC000649627596 398009196 /nfs/dbraw/zinc/00/91/96/398009196.db2.gz NOVCBGMNRJKWNQ-CYBMUJFWSA-N 2 2 222.376 2.393 10 0 BEAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000375669758 167105025 /nfs/dbraw/zinc/10/50/25/167105025.db2.gz VGQMLHVQSQGRLP-GFCCVEGCSA-N 2 2 222.332 2.067 10 0 BEAELP CC(C)[NH2+]CC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000375669758 167105027 /nfs/dbraw/zinc/10/50/27/167105027.db2.gz VGQMLHVQSQGRLP-GFCCVEGCSA-N 2 2 222.332 2.067 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000393240985 487569103 /nfs/dbraw/zinc/56/91/03/487569103.db2.gz OBAIIYRRAPUHOF-RYUDHWBXSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000393240985 487569106 /nfs/dbraw/zinc/56/91/06/487569106.db2.gz OBAIIYRRAPUHOF-RYUDHWBXSA-N 2 2 212.381 2.352 10 0 BEAELP C[NH2+][C@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000394512556 487611429 /nfs/dbraw/zinc/61/14/29/487611429.db2.gz OXTMPAMNCWSEQY-NEPJUHHUSA-N 2 2 246.345 2.496 10 0 BEAELP C[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000394512556 487611435 /nfs/dbraw/zinc/61/14/35/487611435.db2.gz OXTMPAMNCWSEQY-NEPJUHHUSA-N 2 2 246.345 2.496 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000309330721 167028374 /nfs/dbraw/zinc/02/83/74/167028374.db2.gz HSQMEUJGSITHIQ-AGIUHOORSA-N 2 2 242.432 2.058 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000309330721 167028380 /nfs/dbraw/zinc/02/83/80/167028380.db2.gz HSQMEUJGSITHIQ-AGIUHOORSA-N 2 2 242.432 2.058 10 0 BEAELP CC(C)[C@@H](C)[N@H+](C)C1(C[NH3+])CCSCC1 ZINC000042335074 167366914 /nfs/dbraw/zinc/36/69/14/167366914.db2.gz WNEPBYUYTPKEJJ-LLVKDONJSA-N 2 2 230.421 2.187 10 0 BEAELP CC(C)[C@@H](C)[N@@H+](C)C1(C[NH3+])CCSCC1 ZINC000042335074 167366917 /nfs/dbraw/zinc/36/69/17/167366917.db2.gz WNEPBYUYTPKEJJ-LLVKDONJSA-N 2 2 230.421 2.187 10 0 BEAELP CN(CCC[NH3+])c1[nH+]ccc2ccccc21 ZINC000123768868 411163275 /nfs/dbraw/zinc/16/32/75/411163275.db2.gz XCBUHDGBOJHDOQ-UHFFFAOYSA-N 2 2 215.300 2.020 10 0 BEAELP CC1CCC(C[NH3+])([N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000035783585 168153679 /nfs/dbraw/zinc/15/36/79/168153679.db2.gz DXCUZOGYDXMTFA-QPPOZKHWSA-N 2 2 240.391 2.003 10 0 BEAELP CC1CCC(C[NH3+])([N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000035783585 168153680 /nfs/dbraw/zinc/15/36/80/168153680.db2.gz DXCUZOGYDXMTFA-QPPOZKHWSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@H]1CCC[N@@H+]1C1(C[NH3+])CCC(C)CC1 ZINC000037910401 168154375 /nfs/dbraw/zinc/15/43/75/168154375.db2.gz FQQAPUDVODFRMK-CPCZMJQVSA-N 2 2 210.365 2.378 10 0 BEAELP C[C@H]1CCC[N@H+]1C1(C[NH3+])CCC(C)CC1 ZINC000037910401 168154377 /nfs/dbraw/zinc/15/43/77/168154377.db2.gz FQQAPUDVODFRMK-CPCZMJQVSA-N 2 2 210.365 2.378 10 0 BEAELP CC1CCC(C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000084339337 168155646 /nfs/dbraw/zinc/15/56/46/168155646.db2.gz VGXQFIBCEGHZHT-UHFFFAOYSA-N 2 2 221.348 2.299 10 0 BEAELP CC1CC[NH+]([C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000023071622 168187375 /nfs/dbraw/zinc/18/73/75/168187375.db2.gz XELKFMCLAAPBCM-OLZOCXBDSA-N 2 2 210.365 2.378 10 0 BEAELP C[C@@H]([NH3+])[C@@H](c1ccco1)[NH+]1CCC(C)CC1 ZINC000043334294 168187421 /nfs/dbraw/zinc/18/74/21/168187421.db2.gz QVIUFXGLGQAOBF-YPMHNXCESA-N 2 2 222.332 2.400 10 0 BEAELP CC[N@@H+]1CCc2nc([C@H]([NH3+])C(C)C)sc2C1 ZINC000041059368 170025854 /nfs/dbraw/zinc/02/58/54/170025854.db2.gz ASBNXVMPSFMOHN-LLVKDONJSA-N 2 2 239.388 2.177 10 0 BEAELP CC[N@H+]1CCc2nc([C@H]([NH3+])C(C)C)sc2C1 ZINC000041059368 170025855 /nfs/dbraw/zinc/02/58/55/170025855.db2.gz ASBNXVMPSFMOHN-LLVKDONJSA-N 2 2 239.388 2.177 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCC(C)C)C1 ZINC000309040221 170030118 /nfs/dbraw/zinc/03/01/18/170030118.db2.gz KRHCOTPRDBZNCR-OLZOCXBDSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCC(C)C)C1 ZINC000309040221 170030119 /nfs/dbraw/zinc/03/01/19/170030119.db2.gz KRHCOTPRDBZNCR-OLZOCXBDSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000336776756 170031184 /nfs/dbraw/zinc/03/11/84/170031184.db2.gz GOBZGWLUFJDPFT-CHWSQXEVSA-N 2 2 224.392 2.352 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000336776756 170031186 /nfs/dbraw/zinc/03/11/86/170031186.db2.gz GOBZGWLUFJDPFT-CHWSQXEVSA-N 2 2 224.392 2.352 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000309955240 170039146 /nfs/dbraw/zinc/03/91/46/170039146.db2.gz IANZHFOYQPBCCB-YNEHKIRRSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000309955240 170039147 /nfs/dbraw/zinc/03/91/47/170039147.db2.gz IANZHFOYQPBCCB-YNEHKIRRSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000309907561 170039304 /nfs/dbraw/zinc/03/93/04/170039304.db2.gz KZLCTQWWBXWHDO-XQQFMLRXSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000309907561 170039305 /nfs/dbraw/zinc/03/93/05/170039305.db2.gz KZLCTQWWBXWHDO-XQQFMLRXSA-N 2 2 224.392 2.495 10 0 BEAELP CC[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000052419057 170119235 /nfs/dbraw/zinc/11/92/35/170119235.db2.gz ANEZKGDVJOGTQM-GFCCVEGCSA-N 2 2 218.344 2.043 10 0 BEAELP CC[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000052419057 170119236 /nfs/dbraw/zinc/11/92/36/170119236.db2.gz ANEZKGDVJOGTQM-GFCCVEGCSA-N 2 2 218.344 2.043 10 0 BEAELP CC[NH2+]C[C@](C)(CC)C[N@@H+]1CCO[C@H](CC)C1 ZINC000051217132 170123648 /nfs/dbraw/zinc/12/36/48/170123648.db2.gz RGORDFJFGKNORC-KGLIPLIRSA-N 2 2 242.407 2.123 10 0 BEAELP CC[NH2+]C[C@](C)(CC)C[N@H+]1CCO[C@H](CC)C1 ZINC000051217132 170123650 /nfs/dbraw/zinc/12/36/50/170123650.db2.gz RGORDFJFGKNORC-KGLIPLIRSA-N 2 2 242.407 2.123 10 0 BEAELP CC[NH2+]Cc1c[nH+]c(CCc2ccccc2)[nH]1 ZINC000062820997 170124251 /nfs/dbraw/zinc/12/42/51/170124251.db2.gz DCYXILGOYHKEJO-UHFFFAOYSA-N 2 2 229.327 2.304 10 0 BEAELP CC[NH2+][C@@H](C)[C@@H](C)[NH+]1CCC(C)(C)CC1 ZINC000061819759 170140031 /nfs/dbraw/zinc/14/00/31/170140031.db2.gz WTRLLOAURGPWPF-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+](Cc2cccnc2)[C@H](C)C1 ZINC000049712459 170151409 /nfs/dbraw/zinc/15/14/09/170151409.db2.gz LYWQARZMLKBNJU-TZMCWYRMSA-N 2 2 233.359 2.044 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2cccnc2)[C@H](C)C1 ZINC000049712459 170151411 /nfs/dbraw/zinc/15/14/11/170151411.db2.gz LYWQARZMLKBNJU-TZMCWYRMSA-N 2 2 233.359 2.044 10 0 BEAELP CC[NH2+][C@H]1CCCC[C@@H]1[NH+]1CCCCC1 ZINC000043814329 170165860 /nfs/dbraw/zinc/16/58/60/170165860.db2.gz GJAQJOSYRKSZPW-STQMWFEESA-N 2 2 210.365 2.393 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000037241579 170167958 /nfs/dbraw/zinc/16/79/58/170167958.db2.gz QBZPROVSDKKBCF-AWEZNQCLSA-N 2 2 218.344 2.179 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000037241579 170167960 /nfs/dbraw/zinc/16/79/60/170167960.db2.gz QBZPROVSDKKBCF-AWEZNQCLSA-N 2 2 218.344 2.179 10 0 BEAELP CC[C@@H]1CC[N@@H+](C2CCCCC2)CC[NH2+]1 ZINC000049661571 171009682 /nfs/dbraw/zinc/00/96/82/171009682.db2.gz LHCJNMFUQFGPJR-GFCCVEGCSA-N 2 2 210.365 2.393 10 0 BEAELP CC[C@@H]1CC[N@H+](C2CCCCC2)CC[NH2+]1 ZINC000049661571 171009685 /nfs/dbraw/zinc/00/96/85/171009685.db2.gz LHCJNMFUQFGPJR-GFCCVEGCSA-N 2 2 210.365 2.393 10 0 BEAELP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+](C)Cc2ccccn2)C1 ZINC000036777396 171039831 /nfs/dbraw/zinc/03/98/31/171039831.db2.gz WJKUTECWLQOSMH-BPLDGKMQSA-N 2 2 247.386 2.419 10 0 BEAELP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+](C)Cc2ccccn2)C1 ZINC000036777396 171039833 /nfs/dbraw/zinc/03/98/33/171039833.db2.gz WJKUTECWLQOSMH-BPLDGKMQSA-N 2 2 247.386 2.419 10 0 BEAELP CC[C@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccccn1 ZINC000037172763 171273715 /nfs/dbraw/zinc/27/37/15/171273715.db2.gz BJQIGFVVAOFRKM-AAEUAGOBSA-N 2 2 221.348 2.059 10 0 BEAELP CC[C@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccccn1 ZINC000037172763 171273717 /nfs/dbraw/zinc/27/37/17/171273717.db2.gz BJQIGFVVAOFRKM-AAEUAGOBSA-N 2 2 221.348 2.059 10 0 BEAELP CC[C@H](C)[N@H+](CC[NH3+])Cc1cccc(F)c1 ZINC000076611832 171312837 /nfs/dbraw/zinc/31/28/37/171312837.db2.gz HWCSTMWCHWEBTN-NSHDSACASA-N 2 2 224.323 2.385 10 0 BEAELP CC[C@H](C)[N@@H+](CC[NH3+])Cc1cccc(F)c1 ZINC000076611832 171312838 /nfs/dbraw/zinc/31/28/38/171312838.db2.gz HWCSTMWCHWEBTN-NSHDSACASA-N 2 2 224.323 2.385 10 0 BEAELP CCc1ccccc1OC[C@@H](C[NH3+])[NH+]1CCCC1 ZINC000020400544 171891509 /nfs/dbraw/zinc/89/15/09/171891509.db2.gz YDHZILFDNMURBT-CQSZACIVSA-N 2 2 248.370 2.051 10 0 BEAELP CCc1[nH+]c2ccccc2n1[C@H](CC)C(N)=[NH2+] ZINC000062807752 172013422 /nfs/dbraw/zinc/01/34/22/172013422.db2.gz XXMVTCYMZDFIPV-SNVBAGLBSA-N 2 2 230.315 2.486 10 0 BEAELP CCc1[nH+]c2ccccc2n1C[C@@H]([NH3+])CC ZINC000057798929 172013553 /nfs/dbraw/zinc/01/35/53/172013553.db2.gz TUXWPCPHRCWQAM-JTQLQIEISA-N 2 2 217.316 2.336 10 0 BEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105922674 172029380 /nfs/dbraw/zinc/02/93/80/172029380.db2.gz XCXKIGRJLIFLPC-LBPRGKRZSA-N 2 2 221.348 2.491 10 0 BEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105922674 172029383 /nfs/dbraw/zinc/02/93/83/172029383.db2.gz XCXKIGRJLIFLPC-LBPRGKRZSA-N 2 2 221.348 2.491 10 0 BEAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C1(C)CCCC1 ZINC000054243537 173009316 /nfs/dbraw/zinc/00/93/16/173009316.db2.gz DRYVGYFVXJNDMZ-LBPRGKRZSA-N 2 2 210.365 2.393 10 0 BEAELP C[N@H+]1CCCC[C@H]1C[NH2+]C1(C)CCCC1 ZINC000054243537 173009317 /nfs/dbraw/zinc/00/93/17/173009317.db2.gz DRYVGYFVXJNDMZ-LBPRGKRZSA-N 2 2 210.365 2.393 10 0 BEAELP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC000037645824 173147669 /nfs/dbraw/zinc/14/76/69/173147669.db2.gz BBSBZHJGYJOQTC-SNVBAGLBSA-N 2 2 240.297 2.006 10 0 BEAELP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC000037645824 173147671 /nfs/dbraw/zinc/14/76/71/173147671.db2.gz BBSBZHJGYJOQTC-SNVBAGLBSA-N 2 2 240.297 2.006 10 0 BEAELP C[NH2+]CCc1[nH+]c2cc(OC)ccc2n1C(C)C ZINC000074297955 173361066 /nfs/dbraw/zinc/36/10/66/173361066.db2.gz SFWKILQKPWBDET-UHFFFAOYSA-N 2 2 247.342 2.388 10 0 BEAELP COC1CC[NH+]([C@@H](C)C[NH2+]CCC(C)C)CC1 ZINC000053490629 174031049 /nfs/dbraw/zinc/03/10/49/174031049.db2.gz NTCIWTVRXQTILO-ZDUSSCGKSA-N 2 2 242.407 2.121 10 0 BEAELP COC1CC[NH+]([C@@H](C)C[NH2+]C2CCCC2)CC1 ZINC000053490640 174031195 /nfs/dbraw/zinc/03/11/95/174031195.db2.gz SULYHJVVWZQBNP-LBPRGKRZSA-N 2 2 240.391 2.018 10 0 BEAELP COCC[N@H+]([C@@H](C)C[NH2+]C1CCCC1)C1CC1 ZINC000053496553 174285212 /nfs/dbraw/zinc/28/52/12/174285212.db2.gz VKAFYYQDMSDQAZ-LBPRGKRZSA-N 2 2 240.391 2.018 10 0 BEAELP COCC[N@@H+]([C@@H](C)C[NH2+]C1CCCC1)C1CC1 ZINC000053496553 174285213 /nfs/dbraw/zinc/28/52/13/174285213.db2.gz VKAFYYQDMSDQAZ-LBPRGKRZSA-N 2 2 240.391 2.018 10 0 BEAELP COCC[N@H+]([C@H](C[NH2+]C(C)C)C(C)C)C1CC1 ZINC000052542336 174285333 /nfs/dbraw/zinc/28/53/33/174285333.db2.gz WDSXQZRYCUAXEO-CQSZACIVSA-N 2 2 242.407 2.120 10 0 BEAELP COCC[N@@H+]([C@H](C[NH2+]C(C)C)C(C)C)C1CC1 ZINC000052542336 174285335 /nfs/dbraw/zinc/28/53/35/174285335.db2.gz WDSXQZRYCUAXEO-CQSZACIVSA-N 2 2 242.407 2.120 10 0 BEAELP COc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000261551959 175259563 /nfs/dbraw/zinc/25/95/63/175259563.db2.gz ZFGDCWQLGNSFSP-JSGCOSHPSA-N 2 2 248.370 2.254 10 0 BEAELP COc1cccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000261551959 175259565 /nfs/dbraw/zinc/25/95/65/175259565.db2.gz ZFGDCWQLGNSFSP-JSGCOSHPSA-N 2 2 248.370 2.254 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@H+](C)C(C)C)c1 ZINC000022221297 175294561 /nfs/dbraw/zinc/29/45/61/175294561.db2.gz OVTVBGJAWAOEBW-ZDUSSCGKSA-N 2 2 222.332 2.035 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)C(C)C)c1 ZINC000022221297 175294562 /nfs/dbraw/zinc/29/45/62/175294562.db2.gz OVTVBGJAWAOEBW-ZDUSSCGKSA-N 2 2 222.332 2.035 10 0 BEAELP COc1ccccc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234874944 175327180 /nfs/dbraw/zinc/32/71/80/175327180.db2.gz WNJCGXLIEFXPBA-TZMCWYRMSA-N 2 2 248.370 2.254 10 0 BEAELP COc1ccccc1C[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234874944 175327182 /nfs/dbraw/zinc/32/71/82/175327182.db2.gz WNJCGXLIEFXPBA-TZMCWYRMSA-N 2 2 248.370 2.254 10 0 BEAELP C[C@@H](c1cccc(N)c1)[N@H+](C)C1CC[NH+](C)CC1 ZINC000042288340 176018211 /nfs/dbraw/zinc/01/82/11/176018211.db2.gz WYKXXSIISAFAIZ-LBPRGKRZSA-N 2 2 247.386 2.356 10 0 BEAELP C[C@@H](c1cccc(N)c1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000042288340 176018212 /nfs/dbraw/zinc/01/82/12/176018212.db2.gz WYKXXSIISAFAIZ-LBPRGKRZSA-N 2 2 247.386 2.356 10 0 BEAELP C[C@@H]1CCC[N@H+](Cc2csc(C[NH3+])n2)[C@@H]1C ZINC000052373376 176101569 /nfs/dbraw/zinc/10/15/69/176101569.db2.gz AEEQRUVKWMIWGF-NXEZZACHSA-N 2 2 239.388 2.222 10 0 BEAELP C[C@@H]1CCC[N@@H+](Cc2csc(C[NH3+])n2)[C@@H]1C ZINC000052373376 176101571 /nfs/dbraw/zinc/10/15/71/176101571.db2.gz AEEQRUVKWMIWGF-NXEZZACHSA-N 2 2 239.388 2.222 10 0 BEAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1cccs1 ZINC000037910259 176110566 /nfs/dbraw/zinc/11/05/66/176110566.db2.gz XROIELXLESQYES-ZJUUUORDSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1cccs1 ZINC000037910259 176110568 /nfs/dbraw/zinc/11/05/68/176110568.db2.gz XROIELXLESQYES-ZJUUUORDSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H]1CC[N@H+](Cc2cccs2)[C@@H](C[NH3+])C1 ZINC000235339146 176175651 /nfs/dbraw/zinc/17/56/51/176175651.db2.gz PSQDEERQIOFTLM-GHMZBOCLSA-N 2 2 224.373 2.307 10 0 BEAELP C[C@@H]1CC[N@@H+](Cc2cccs2)[C@@H](C[NH3+])C1 ZINC000235339146 176175652 /nfs/dbraw/zinc/17/56/52/176175652.db2.gz PSQDEERQIOFTLM-GHMZBOCLSA-N 2 2 224.373 2.307 10 0 BEAELP C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)[C@@H](C[NH3+])C1 ZINC000235394885 176182216 /nfs/dbraw/zinc/18/22/16/176182216.db2.gz TXYVXAKFNXSJNV-GHMZBOCLSA-N 2 2 244.342 2.127 10 0 BEAELP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062611094 176304253 /nfs/dbraw/zinc/30/42/53/176304253.db2.gz LNBFOPVFHYHEPE-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062611094 176304255 /nfs/dbraw/zinc/30/42/55/176304255.db2.gz LNBFOPVFHYHEPE-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1C[NH2+]CCCN(c2ccc([NH+](C)C)cc2)C1 ZINC000049666421 176324010 /nfs/dbraw/zinc/32/40/10/176324010.db2.gz WMUVMDVHEWNJCB-CYBMUJFWSA-N 2 2 247.386 2.188 10 0 BEAELP C[C@@H]1C[NH2+]CCC[N@@H+](c2ccc(N(C)C)cc2)C1 ZINC000049666421 176324012 /nfs/dbraw/zinc/32/40/12/176324012.db2.gz WMUVMDVHEWNJCB-CYBMUJFWSA-N 2 2 247.386 2.188 10 0 BEAELP C[C@@H]1C[NH2+]CCC[N@H+](c2ccc(N(C)C)cc2)C1 ZINC000049666421 176324014 /nfs/dbraw/zinc/32/40/14/176324014.db2.gz WMUVMDVHEWNJCB-CYBMUJFWSA-N 2 2 247.386 2.188 10 0 BEAELP C[C@H]([C@@H]([NH3+])c1ccccc1)n1cc[nH+]c1 ZINC000023070822 177031235 /nfs/dbraw/zinc/03/12/35/177031235.db2.gz DCHONAQTARXODU-ZYHUDNBSSA-N 2 2 201.273 2.144 10 0 BEAELP C[C@H](c1cccs1)[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC000095068175 177049395 /nfs/dbraw/zinc/04/93/95/177049395.db2.gz QYMSWJMQVBNDBN-MNOVXSKESA-N 2 2 224.373 2.493 10 0 BEAELP C[C@H](c1cccs1)[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC000095068175 177049396 /nfs/dbraw/zinc/04/93/96/177049396.db2.gz QYMSWJMQVBNDBN-MNOVXSKESA-N 2 2 224.373 2.493 10 0 BEAELP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccco2)C1 ZINC000019260605 177104321 /nfs/dbraw/zinc/10/43/21/177104321.db2.gz JWZRFLWLNUNIKK-QWRGUYRKSA-N 2 2 208.305 2.011 10 0 BEAELP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccco2)C1 ZINC000019260605 177104322 /nfs/dbraw/zinc/10/43/22/177104322.db2.gz JWZRFLWLNUNIKK-QWRGUYRKSA-N 2 2 208.305 2.011 10 0 BEAELP C[C@H]1CCC[C@H](C)C1[N@@H+]1CCC[NH2+]CC1 ZINC000038086875 177129306 /nfs/dbraw/zinc/12/93/06/177129306.db2.gz INYKWAIEHFIAJY-RYUDHWBXSA-N 2 2 210.365 2.106 10 0 BEAELP C[C@H]1CCC[C@H](C)C1[N@H+]1CCC[NH2+]CC1 ZINC000038086875 177129307 /nfs/dbraw/zinc/12/93/07/177129307.db2.gz INYKWAIEHFIAJY-RYUDHWBXSA-N 2 2 210.365 2.106 10 0 BEAELP C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000044417884 177161848 /nfs/dbraw/zinc/16/18/48/177161848.db2.gz LEYIZWFTLCZGQT-RDBSUJKOSA-N 2 2 224.392 2.497 10 0 BEAELP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000044417884 177161849 /nfs/dbraw/zinc/16/18/49/177161849.db2.gz LEYIZWFTLCZGQT-RDBSUJKOSA-N 2 2 224.392 2.497 10 0 BEAELP C[C@H]1C[NH+](C2(C[NH3+])CCCCCC2)C[C@H](C)O1 ZINC000019473388 177240274 /nfs/dbraw/zinc/24/02/74/177240274.db2.gz CFXRREOVMREJHO-STQMWFEESA-N 2 2 240.391 2.147 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@H+]([C@H](C[NH3+])c2ccco2)C1 ZINC000039789036 177315581 /nfs/dbraw/zinc/31/55/81/177315581.db2.gz VVOOBECOVUXKAR-GRYCIOLGSA-N 2 2 222.332 2.257 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C[NH3+])c2ccco2)C1 ZINC000039789036 177315583 /nfs/dbraw/zinc/31/55/83/177315583.db2.gz VVOOBECOVUXKAR-GRYCIOLGSA-N 2 2 222.332 2.257 10 0 BEAELP C[C@H]1C[C@H]([NH2+]CC2(C)CCC2)C[N@@H+]1C1CC1 ZINC000120416072 177368671 /nfs/dbraw/zinc/36/86/71/177368671.db2.gz GUFYQJIFEHJQSN-RYUDHWBXSA-N 2 2 222.376 2.391 10 0 BEAELP C[C@H]1C[C@H]([NH2+]CC2(C)CCC2)C[N@H+]1C1CC1 ZINC000120416072 177368672 /nfs/dbraw/zinc/36/86/72/177368672.db2.gz GUFYQJIFEHJQSN-RYUDHWBXSA-N 2 2 222.376 2.391 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000666466048 487814894 /nfs/dbraw/zinc/81/48/94/487814894.db2.gz KLWQDFLJWVDLTE-CYBMUJFWSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000666466048 487814899 /nfs/dbraw/zinc/81/48/99/487814899.db2.gz KLWQDFLJWVDLTE-CYBMUJFWSA-N 2 2 243.354 2.352 10 0 BEAELP c1c(C[NH2+][C@H]2CC[NH2+]C2)sc2c1CCCC2 ZINC000567642542 323034430 /nfs/dbraw/zinc/03/44/30/323034430.db2.gz SMRQUAWKDSUXEV-NSHDSACASA-N 2 2 236.384 2.078 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccco1 ZINC000396731733 323657082 /nfs/dbraw/zinc/65/70/82/323657082.db2.gz YZFHNUFLWYDRBQ-GARJFASQSA-N 2 2 208.305 2.071 10 0 BEAELP Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCC[NH3+])CC3 ZINC000060040781 487996332 /nfs/dbraw/zinc/99/63/32/487996332.db2.gz DDNILCXXOUJIMX-UHFFFAOYSA-N 2 2 243.354 2.183 10 0 BEAELP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCC[NH3+])CC3 ZINC000060040781 487996335 /nfs/dbraw/zinc/99/63/35/487996335.db2.gz DDNILCXXOUJIMX-UHFFFAOYSA-N 2 2 243.354 2.183 10 0 BEAELP C[C@H](C[NH2+]Cc1cccc2cnccc21)[NH+](C)C ZINC000061125427 488171976 /nfs/dbraw/zinc/17/19/76/488171976.db2.gz DBXIJYFAQTXZMY-GFCCVEGCSA-N 2 2 243.354 2.275 10 0 BEAELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000310675720 488187786 /nfs/dbraw/zinc/18/77/86/488187786.db2.gz JHRGAPPIPKEQSN-SMDDNHRTSA-N 2 2 241.338 2.156 10 0 BEAELP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccnc2ccccc12 ZINC000310675720 488187791 /nfs/dbraw/zinc/18/77/91/488187791.db2.gz JHRGAPPIPKEQSN-SMDDNHRTSA-N 2 2 241.338 2.156 10 0 BEAELP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1nccs1 ZINC000129282148 490049574 /nfs/dbraw/zinc/04/95/74/490049574.db2.gz URIMZPVJJNJITM-VHSXEESVSA-N 2 2 227.377 2.167 10 0 BEAELP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1nccs1 ZINC000129282571 490051385 /nfs/dbraw/zinc/05/13/85/490051385.db2.gz URIMZPVJJNJITM-NXEZZACHSA-N 2 2 227.377 2.167 10 0 BEAELP C[C@H](c1ccccn1)[NH+]1CCC([NH+](C)C)CC1 ZINC000127973325 490568017 /nfs/dbraw/zinc/56/80/17/490568017.db2.gz QZPWMFYNXHXXAS-GFCCVEGCSA-N 2 2 233.359 2.169 10 0 BEAELP Cc1cc[nH+]cc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226831134 491051867 /nfs/dbraw/zinc/05/18/67/491051867.db2.gz MRTZNCSTGMNMGI-NWDGAFQWSA-N 2 2 219.332 2.285 10 0 BEAELP Cc1cc[nH+]cc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226831134 491051868 /nfs/dbraw/zinc/05/18/68/491051868.db2.gz MRTZNCSTGMNMGI-NWDGAFQWSA-N 2 2 219.332 2.285 10 0 BEAELP CCc1cc(N[C@@H]2CCC[N@@H+](CC)C2)nc(C)[nH+]1 ZINC000088760213 491108313 /nfs/dbraw/zinc/10/83/13/491108313.db2.gz JFVYFQFGINYSHJ-CYBMUJFWSA-N 2 2 248.374 2.244 10 0 BEAELP CCc1cc(N[C@@H]2CCC[N@H+](CC)C2)nc(C)[nH+]1 ZINC000088760213 491108314 /nfs/dbraw/zinc/10/83/14/491108314.db2.gz JFVYFQFGINYSHJ-CYBMUJFWSA-N 2 2 248.374 2.244 10 0 BEAELP C[C@H]([NH2+][C@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000400443413 534009151 /nfs/dbraw/zinc/00/91/51/534009151.db2.gz OWJPPHQJXHGZSZ-YUTCNCBUSA-N 2 2 246.354 2.240 10 0 BEAELP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000251683240 535824701 /nfs/dbraw/zinc/82/47/01/535824701.db2.gz PKZKULUKLBDYCT-AGIUHOORSA-N 2 2 222.376 2.391 10 0 BEAELP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000251683240 535824702 /nfs/dbraw/zinc/82/47/02/535824702.db2.gz PKZKULUKLBDYCT-AGIUHOORSA-N 2 2 222.376 2.391 10 0 BEAELP CC1(C)CN(c2[nH]c3ccccc3[nH+]2)CC[C@H]1[NH3+] ZINC000261557371 535360111 /nfs/dbraw/zinc/36/01/11/535360111.db2.gz COLWICIKSQVESG-GFCCVEGCSA-N 2 2 244.342 2.127 10 0 BEAELP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533120 536375181 /nfs/dbraw/zinc/37/51/81/536375181.db2.gz XLVTXGHAYRSXDD-WDEREUQCSA-N 2 2 232.318 2.106 10 0 BEAELP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533120 536375184 /nfs/dbraw/zinc/37/51/84/536375184.db2.gz XLVTXGHAYRSXDD-WDEREUQCSA-N 2 2 232.318 2.106 10 0 BEAELP CC[C@H](C)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757126925 582502247 /nfs/dbraw/zinc/50/22/47/582502247.db2.gz HTGBPBRGLLGVKY-GXTWGEPZSA-N 2 2 222.376 2.345 10 0 BEAELP CC[C@H](C)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757126925 582502248 /nfs/dbraw/zinc/50/22/48/582502248.db2.gz HTGBPBRGLLGVKY-GXTWGEPZSA-N 2 2 222.376 2.345 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000396624451 583086994 /nfs/dbraw/zinc/08/69/94/583086994.db2.gz DJUHUNRCNKYWRJ-RYUDHWBXSA-N 2 2 240.391 2.016 10 0 BEAELP CC(=O)c1ccc([C@@H]2[NH2+][C@@H](C)CC[C@@H]2[NH3+])cc1 ZINC000757215928 586440796 /nfs/dbraw/zinc/44/07/96/586440796.db2.gz OCKHJBZSFFHYBN-HERUPUMHSA-N 2 2 232.327 2.030 10 0 BEAELP [NH3+][C@@H]1CC[C@@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757238584 586444264 /nfs/dbraw/zinc/44/42/64/586444264.db2.gz STKGWHXSWJJGSY-MUWHJKNJSA-N 2 2 232.299 2.438 10 0 BEAELP C[N@H+](C[C@H]1C[NH2+]CCO1)C1CCCCCCC1 ZINC000125460995 590165278 /nfs/dbraw/zinc/16/52/78/590165278.db2.gz QDECWVCJRPXTIM-CQSZACIVSA-N 2 2 240.391 2.020 10 0 BEAELP C[N@@H+](C[C@H]1C[NH2+]CCO1)C1CCCCCCC1 ZINC000125460995 590165279 /nfs/dbraw/zinc/16/52/79/590165279.db2.gz QDECWVCJRPXTIM-CQSZACIVSA-N 2 2 240.391 2.020 10 0 BEAELP CC[C@H](C[NH2+][C@@H]1CCCSC1)[NH+]1CCCC1 ZINC000128242873 590949754 /nfs/dbraw/zinc/94/97/54/590949754.db2.gz ZWAAHAQILSCEIP-CHWSQXEVSA-N 2 2 242.432 2.346 10 0 BEAELP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCSC1 ZINC000128243984 590950116 /nfs/dbraw/zinc/95/01/16/590950116.db2.gz GYZFIKILZAGKSO-CHWSQXEVSA-N 2 2 242.432 2.346 10 0 BEAELP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCSC1 ZINC000128243984 590950118 /nfs/dbraw/zinc/95/01/18/590950118.db2.gz GYZFIKILZAGKSO-CHWSQXEVSA-N 2 2 242.432 2.346 10 0 BEAELP [NH3+]C1CC(CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090805178 644605045 /nfs/dbraw/zinc/60/50/45/644605045.db2.gz APDBJBQKNCIWGL-UHFFFAOYSA-N 2 2 245.248 2.250 10 0 BEAELP CN(CCCCCC[NH3+])c1cccc[nH+]1 ZINC000710752415 712256062 /nfs/dbraw/zinc/25/60/62/712256062.db2.gz ZBNCVQJVLWDTFK-UHFFFAOYSA-N 2 2 207.321 2.037 10 0 BEAELP CCC1([NH3+])CC[NH+]([C@H](C)c2cncs2)CC1 ZINC000714759585 712497713 /nfs/dbraw/zinc/49/77/13/712497713.db2.gz VBKUUGQUOOURIO-SNVBAGLBSA-N 2 2 239.388 2.407 10 0 BEAELP Cc1ccc(C)c([C@H](C)[N@H+](C)CC[NH3+])c1 ZINC000054416855 711726137 /nfs/dbraw/zinc/72/61/37/711726137.db2.gz KPBZCWGMYLYODA-LBPRGKRZSA-N 2 2 206.333 2.255 10 0 BEAELP Cc1ccc(C)c([C@H](C)[N@@H+](C)CC[NH3+])c1 ZINC000054416855 711726138 /nfs/dbraw/zinc/72/61/38/711726138.db2.gz KPBZCWGMYLYODA-LBPRGKRZSA-N 2 2 206.333 2.255 10 0 BEAELP C[N@@H+]1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC000044562796 1169096757 /nfs/dbraw/zinc/09/67/57/1169096757.db2.gz JASSARQYZPKLIF-LBPRGKRZSA-N 2 2 212.381 2.497 10 0 BEAELP C[N@H+]1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC000044562796 1169096764 /nfs/dbraw/zinc/09/67/64/1169096764.db2.gz JASSARQYZPKLIF-LBPRGKRZSA-N 2 2 212.381 2.497 10 0 BEAELP C[C@H](c1ccsc1)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000307570165 398175921 /nfs/dbraw/zinc/17/59/21/398175921.db2.gz YYQGSGGXIDHRDJ-FXPVBKGRSA-N 2 2 210.346 2.231 10 0 BEAELP C[C@H](c1ccsc1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000307570165 398175923 /nfs/dbraw/zinc/17/59/23/398175923.db2.gz YYQGSGGXIDHRDJ-FXPVBKGRSA-N 2 2 210.346 2.231 10 0 BEAELP CC(C)([NH3+])C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226117214 192027415 /nfs/dbraw/zinc/02/74/15/192027415.db2.gz RGGWRPRZSIDGSI-VXGBXAGGSA-N 2 2 210.365 2.378 10 0 BEAELP CC(C)([NH3+])C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226117214 192027416 /nfs/dbraw/zinc/02/74/16/192027416.db2.gz RGGWRPRZSIDGSI-VXGBXAGGSA-N 2 2 210.365 2.378 10 0 BEAELP Cc1cc([NH3+])ccc1N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049564607 178107662 /nfs/dbraw/zinc/10/76/62/178107662.db2.gz IVLWJMHMYRMZFS-UONOGXRCSA-N 2 2 231.343 2.226 10 0 BEAELP Cc1cc([NH3+])ccc1N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049564607 178107663 /nfs/dbraw/zinc/10/76/63/178107663.db2.gz IVLWJMHMYRMZFS-UONOGXRCSA-N 2 2 231.343 2.226 10 0 BEAELP CCC(CC)C[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000040502109 168363894 /nfs/dbraw/zinc/36/38/94/168363894.db2.gz GUNINPOETZARDY-CYBMUJFWSA-N 2 2 212.381 2.497 10 0 BEAELP CCC(CC)C[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000040502109 168363897 /nfs/dbraw/zinc/36/38/97/168363897.db2.gz GUNINPOETZARDY-CYBMUJFWSA-N 2 2 212.381 2.497 10 0 BEAELP Cc1cc2[nH+]cn(C[C@@H](C)C[NH3+])c2cc1C ZINC000036986871 178305854 /nfs/dbraw/zinc/30/58/54/178305854.db2.gz AKGNERBZULYMIR-VIFPVBQESA-N 2 2 217.316 2.248 10 0 BEAELP C[N@H+](C[C@@H]1CCCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000381689955 398269660 /nfs/dbraw/zinc/26/96/60/398269660.db2.gz NIWPMTUNWILPLW-QWRGUYRKSA-N 2 2 232.318 2.106 10 0 BEAELP C[N@@H+](C[C@@H]1CCCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000381689955 398269664 /nfs/dbraw/zinc/26/96/64/398269664.db2.gz NIWPMTUNWILPLW-QWRGUYRKSA-N 2 2 232.318 2.106 10 0 BEAELP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381769529 398271635 /nfs/dbraw/zinc/27/16/35/398271635.db2.gz YEWGKMSTPHZLEB-WDEREUQCSA-N 2 2 232.318 2.106 10 0 BEAELP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381769529 398271637 /nfs/dbraw/zinc/27/16/37/398271637.db2.gz YEWGKMSTPHZLEB-WDEREUQCSA-N 2 2 232.318 2.106 10 0 BEAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040671989 538973006 /nfs/dbraw/zinc/97/30/06/538973006.db2.gz UGZQQQIZBXQTIT-GXTWGEPZSA-N 2 2 248.370 2.440 10 0 BEAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671989 538973008 /nfs/dbraw/zinc/97/30/08/538973008.db2.gz UGZQQQIZBXQTIT-GXTWGEPZSA-N 2 2 248.370 2.440 10 0 BEAELP CCCC[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000380211917 538987572 /nfs/dbraw/zinc/98/75/72/538987572.db2.gz ZJUGKILWNOMTLP-AGIUHOORSA-N 2 2 212.381 2.495 10 0 BEAELP CCCC[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000380211917 538987573 /nfs/dbraw/zinc/98/75/73/538987573.db2.gz ZJUGKILWNOMTLP-AGIUHOORSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000380010967 538983601 /nfs/dbraw/zinc/98/36/01/538983601.db2.gz RNXLISUALQCPFM-RNJOBUHISA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000380010967 538983603 /nfs/dbraw/zinc/98/36/03/538983603.db2.gz RNXLISUALQCPFM-RNJOBUHISA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000381648787 539006006 /nfs/dbraw/zinc/00/60/06/539006006.db2.gz CMJPDNRANLASLN-GFJIZPEISA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000381648787 539006007 /nfs/dbraw/zinc/00/60/07/539006007.db2.gz CMJPDNRANLASLN-GFJIZPEISA-N 2 2 224.392 2.351 10 0 BEAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218127813 398325663 /nfs/dbraw/zinc/32/56/63/398325663.db2.gz YNUFPCZSFAROKF-AWEZNQCLSA-N 2 2 243.354 2.352 10 0 BEAELP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218127813 398325664 /nfs/dbraw/zinc/32/56/64/398325664.db2.gz YNUFPCZSFAROKF-AWEZNQCLSA-N 2 2 243.354 2.352 10 0 BEAELP C[C@H]([NH3+])c1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000019872841 342960456 /nfs/dbraw/zinc/96/04/56/342960456.db2.gz JNCOYGZTURLLHU-QMMMGPOBSA-N 2 2 205.236 2.031 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1Cl ZINC000072201403 343069678 /nfs/dbraw/zinc/06/96/78/343069678.db2.gz UQZMQFQURJFZJS-MRVPVSSYSA-N 2 2 238.640 2.317 10 0 BEAELP c1c(C[NH2+][C@@H]2CC[NH2+]C2)sc2c1CCCC2 ZINC000567642541 323034443 /nfs/dbraw/zinc/03/44/43/323034443.db2.gz SMRQUAWKDSUXEV-LLVKDONJSA-N 2 2 236.384 2.078 10 0 BEAELP CCc1ccc(OC[C@@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000020400552 187254031 /nfs/dbraw/zinc/25/40/31/187254031.db2.gz HCHGJBMLQHLVIM-CQSZACIVSA-N 2 2 248.370 2.051 10 0 BEAELP CC(C)C[C@@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000022223451 187254969 /nfs/dbraw/zinc/25/49/69/187254969.db2.gz GRGTUHQZXYOKSZ-LBPRGKRZSA-N 2 2 238.400 2.480 10 0 BEAELP CC(C)C[C@@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000022223451 187254971 /nfs/dbraw/zinc/25/49/71/187254971.db2.gz GRGTUHQZXYOKSZ-LBPRGKRZSA-N 2 2 238.400 2.480 10 0 BEAELP C[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000037925290 187261374 /nfs/dbraw/zinc/26/13/74/187261374.db2.gz LSVKLZMQQIYTDV-ZDUSSCGKSA-N 2 2 240.297 2.306 10 0 BEAELP C[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000037925290 187261375 /nfs/dbraw/zinc/26/13/75/187261375.db2.gz LSVKLZMQQIYTDV-ZDUSSCGKSA-N 2 2 240.297 2.306 10 0 BEAELP Cc1cc[nH+]c(N[C@H](C[NH3+])CC(C)C)c1 ZINC000082593098 343450109 /nfs/dbraw/zinc/45/01/09/343450109.db2.gz IFOCEXKSRYTSAV-NSHDSACASA-N 2 2 207.321 2.175 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000308953577 346943283 /nfs/dbraw/zinc/94/32/83/346943283.db2.gz YKVHLJSKVFIJGO-QNWHQSFQSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000308953577 346943284 /nfs/dbraw/zinc/94/32/84/346943284.db2.gz YKVHLJSKVFIJGO-QNWHQSFQSA-N 2 2 210.365 2.105 10 0 BEAELP CCCC[C@H](C[NH3+])Nc1cc(C)cc[nH+]1 ZINC000087780049 343660551 /nfs/dbraw/zinc/66/05/51/343660551.db2.gz BPCJXOBBGWDMKL-LLVKDONJSA-N 2 2 207.321 2.319 10 0 BEAELP C=Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000409424058 343816845 /nfs/dbraw/zinc/81/68/45/343816845.db2.gz SQDJCJMQEVVYDU-AWEZNQCLSA-N 2 2 216.328 2.253 10 0 BEAELP C=Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000409424058 343816847 /nfs/dbraw/zinc/81/68/47/343816847.db2.gz SQDJCJMQEVVYDU-AWEZNQCLSA-N 2 2 216.328 2.253 10 0 BEAELP CC[C@]1(C[NH2+]Cc2ccccc2)CCC[NH2+]1 ZINC000215403052 349878407 /nfs/dbraw/zinc/87/84/07/349878407.db2.gz SUSNJMHBPHAWAB-CQSZACIVSA-N 2 2 218.344 2.308 10 0 BEAELP CCC[C@H](C)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000133138113 344314249 /nfs/dbraw/zinc/31/42/49/344314249.db2.gz RWGRUPSTUBZCAR-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[C@H](C)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000133138113 344314250 /nfs/dbraw/zinc/31/42/50/344314250.db2.gz RWGRUPSTUBZCAR-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP CCCOc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000300090484 344388849 /nfs/dbraw/zinc/38/88/49/344388849.db2.gz QYZKQCOUQOGJSP-SWLSCSKDSA-N 2 2 248.370 2.254 10 0 BEAELP CCCOc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000300090484 344388851 /nfs/dbraw/zinc/38/88/51/344388851.db2.gz QYZKQCOUQOGJSP-SWLSCSKDSA-N 2 2 248.370 2.254 10 0 BEAELP CCc1ccc([C@H]2[C@H]([NH3+])CC[N@@H+]2C)s1 ZINC000069799058 344814729 /nfs/dbraw/zinc/81/47/29/344814729.db2.gz QGKVGOILMQULDH-MWLCHTKSSA-N 2 2 210.346 2.014 10 0 BEAELP CCc1ccc([C@H]2[C@H]([NH3+])CC[N@H+]2C)s1 ZINC000069799058 344814732 /nfs/dbraw/zinc/81/47/32/344814732.db2.gz QGKVGOILMQULDH-MWLCHTKSSA-N 2 2 210.346 2.014 10 0 BEAELP C[NH+](C)CC[C@]1(C)[NH2+]CCc2ccsc21 ZINC000715208986 537868952 /nfs/dbraw/zinc/86/89/52/537868952.db2.gz RBCIBWUOSNVAIA-LBPRGKRZSA-N 2 2 224.373 2.061 10 0 BEAELP CC(C)[C@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000309541175 187308784 /nfs/dbraw/zinc/30/87/84/187308784.db2.gz DVWQVXCHOOBLHI-RYUDHWBXSA-N 2 2 221.348 2.395 10 0 BEAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Cl)c1 ZINC000074010474 537911742 /nfs/dbraw/zinc/91/17/42/537911742.db2.gz FHNAWGIPICODMB-VXGBXAGGSA-N 2 2 224.735 2.434 10 0 BEAELP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Cl)c1 ZINC000074010474 537911750 /nfs/dbraw/zinc/91/17/50/537911750.db2.gz FHNAWGIPICODMB-VXGBXAGGSA-N 2 2 224.735 2.434 10 0 BEAELP Cc1cccc(CC[NH2+][C@H]2C[NH+]3CCC2CC3)c1 ZINC000051669081 179059470 /nfs/dbraw/zinc/05/94/70/179059470.db2.gz CAFQTTNWJHXKFL-INIZCTEOSA-N 2 2 244.382 2.221 10 0 BEAELP Cc1cccc(C[N@@H+](C)CC[NH2+]C(C)C)c1 ZINC000042307302 179066670 /nfs/dbraw/zinc/06/66/70/179066670.db2.gz HMNCTQPGRPPPNV-UHFFFAOYSA-N 2 2 220.360 2.425 10 0 BEAELP Cc1cccc(C[N@H+](C)CC[NH2+]C(C)C)c1 ZINC000042307302 179066672 /nfs/dbraw/zinc/06/66/72/179066672.db2.gz HMNCTQPGRPPPNV-UHFFFAOYSA-N 2 2 220.360 2.425 10 0 BEAELP Cc1cccc(C[NH2+][C@@H]2C[NH+]3CCC2CC3)c1C ZINC000043304756 179099986 /nfs/dbraw/zinc/09/99/86/179099986.db2.gz LEOKGPOVQFOXHX-MRXNPFEDSA-N 2 2 244.382 2.487 10 0 BEAELP Cc1cccc(N[C@H]2CCCC[C@H]2[NH3+])[nH+]1 ZINC000038051140 179157648 /nfs/dbraw/zinc/15/76/48/179157648.db2.gz VWAAFHGBCXJUPN-MNOVXSKESA-N 2 2 205.305 2.072 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCCCC2)C1 ZINC000319434308 259393882 /nfs/dbraw/zinc/39/38/82/259393882.db2.gz KMTHEZWMSXPDCT-CYBMUJFWSA-N 2 2 240.391 2.020 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCCCC2)C1 ZINC000319434308 259393884 /nfs/dbraw/zinc/39/38/84/259393884.db2.gz KMTHEZWMSXPDCT-CYBMUJFWSA-N 2 2 240.391 2.020 10 0 BEAELP Cc1cccc(OCC[N@@H+](C)[C@H]2CCC[NH2+]C2)c1 ZINC000104360311 179167201 /nfs/dbraw/zinc/16/72/01/179167201.db2.gz NLKMKFJMJXVUNX-AWEZNQCLSA-N 2 2 248.370 2.058 10 0 BEAELP Cc1cccc(OCC[N@H+](C)[C@H]2CCC[NH2+]C2)c1 ZINC000104360311 179167204 /nfs/dbraw/zinc/16/72/04/179167204.db2.gz NLKMKFJMJXVUNX-AWEZNQCLSA-N 2 2 248.370 2.058 10 0 BEAELP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@H]1c1ccsc1 ZINC000250491726 362806510 /nfs/dbraw/zinc/80/65/10/362806510.db2.gz HGMGTWFYVBZVMA-WDEREUQCSA-N 2 2 210.346 2.231 10 0 BEAELP CC(C)[N@H+]1CC[C@H]([NH3+])[C@H]1c1ccsc1 ZINC000250491726 362806517 /nfs/dbraw/zinc/80/65/17/362806517.db2.gz HGMGTWFYVBZVMA-WDEREUQCSA-N 2 2 210.346 2.231 10 0 BEAELP Cc1cccc([C@H]([C@H](C)[NH3+])n2cc[nH+]c2)c1 ZINC000042967746 179203412 /nfs/dbraw/zinc/20/34/12/179203412.db2.gz NBIAEIWHRBCQGN-AAEUAGOBSA-N 2 2 215.300 2.128 10 0 BEAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+]1CC[C@H](C)C1 ZINC000042278853 179342321 /nfs/dbraw/zinc/34/23/21/179342321.db2.gz ORYFHMNRUXYRDX-FZMZJTMJSA-N 2 2 218.344 2.337 10 0 BEAELP Cc1ccccc1[C@H](C[NH3+])[N@H+]1CC[C@H](C)C1 ZINC000042278853 179342323 /nfs/dbraw/zinc/34/23/23/179342323.db2.gz ORYFHMNRUXYRDX-FZMZJTMJSA-N 2 2 218.344 2.337 10 0 BEAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])n1cc[nH+]c1 ZINC000043037713 179346260 /nfs/dbraw/zinc/34/62/60/179346260.db2.gz WLXXXZSCKYTLDN-AAEUAGOBSA-N 2 2 215.300 2.128 10 0 BEAELP Cc1ccc[nH+]c1Nc1cccc(OCC[NH3+])c1 ZINC000062839394 179395420 /nfs/dbraw/zinc/39/54/20/179395420.db2.gz BXISKXYJHODISW-UHFFFAOYSA-N 2 2 243.310 2.471 10 0 BEAELP CCCCc1[nH+]c2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253360 538037820 /nfs/dbraw/zinc/03/78/20/538037820.db2.gz JRRIXCGXFJTJHW-SECBINFHSA-N 2 2 207.321 2.099 10 0 BEAELP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)C2)cs1 ZINC000037484837 180048632 /nfs/dbraw/zinc/04/86/32/180048632.db2.gz PYBXFKUWBXCRPY-GXSJLCMTSA-N 2 2 239.388 2.054 10 0 BEAELP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)C2)cs1 ZINC000037484837 180048634 /nfs/dbraw/zinc/04/86/34/180048634.db2.gz PYBXFKUWBXCRPY-GXSJLCMTSA-N 2 2 239.388 2.054 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000132520935 191032919 /nfs/dbraw/zinc/03/29/19/191032919.db2.gz DBOSAVJNYGEVON-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000132520935 191032920 /nfs/dbraw/zinc/03/29/20/191032920.db2.gz DBOSAVJNYGEVON-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP CSCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000133698697 191041725 /nfs/dbraw/zinc/04/17/25/191041725.db2.gz JTQNTIWBTCRLFO-NEPJUHHUSA-N 2 2 242.432 2.344 10 0 BEAELP CSCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000133698697 191041728 /nfs/dbraw/zinc/04/17/28/191041728.db2.gz JTQNTIWBTCRLFO-NEPJUHHUSA-N 2 2 242.432 2.344 10 0 BEAELP c1cn(-c2ccccc2-n2cc[nH+]c2)c[nH+]1 ZINC000220216798 350166952 /nfs/dbraw/zinc/16/69/52/350166952.db2.gz HUOKFCXSSKKFOG-UHFFFAOYSA-N 2 2 210.240 2.058 10 0 BEAELP c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000060250577 350220175 /nfs/dbraw/zinc/22/01/75/350220175.db2.gz MEHGZKIWJHTWJU-AWEZNQCLSA-N 2 2 227.311 2.330 10 0 BEAELP Cc1nc(N[C@@H](C)c2ccc(C[NH3+])cc2)cc[nH+]1 ZINC000054935439 180203987 /nfs/dbraw/zinc/20/39/87/180203987.db2.gz JTWVYSAUICJXIX-JTQLQIEISA-N 2 2 242.326 2.417 10 0 BEAELP CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000386229671 362952502 /nfs/dbraw/zinc/95/25/02/362952502.db2.gz LXYKHXLBIUXRNU-RWMBFGLXSA-N 2 2 242.432 2.344 10 0 BEAELP CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000386229671 362952508 /nfs/dbraw/zinc/95/25/08/362952508.db2.gz LXYKHXLBIUXRNU-RWMBFGLXSA-N 2 2 242.432 2.344 10 0 BEAELP CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000386229673 362952916 /nfs/dbraw/zinc/95/29/16/362952916.db2.gz LXYKHXLBIUXRNU-YNEHKIRRSA-N 2 2 242.432 2.344 10 0 BEAELP CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000386229673 362952920 /nfs/dbraw/zinc/95/29/20/362952920.db2.gz LXYKHXLBIUXRNU-YNEHKIRRSA-N 2 2 242.432 2.344 10 0 BEAELP Cc1[nH+]cn(-c2ccc(C[NH2+]C(C)C)cn2)c1C ZINC000051928436 180285525 /nfs/dbraw/zinc/28/55/25/180285525.db2.gz GPYFGFVOLLTPCH-UHFFFAOYSA-N 2 2 244.342 2.382 10 0 BEAELP Cc1[nH+]cn(-c2ccc(C(N)=[NH2+])c(Cl)c2)c1C ZINC000061856823 180286409 /nfs/dbraw/zinc/28/64/09/180286409.db2.gz SKYPIKXLNRABBY-UHFFFAOYSA-N 2 2 248.717 2.427 10 0 BEAELP Cc1ncsc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037256249 180326900 /nfs/dbraw/zinc/32/69/00/180326900.db2.gz BEYGXBQAVDZSAE-SNVBAGLBSA-N 2 2 239.388 2.196 10 0 BEAELP [NH3+]CC(F)(F)CNc1[nH+]ccc2ccccc21 ZINC000162694122 350413120 /nfs/dbraw/zinc/41/31/20/350413120.db2.gz KBMLTLIQQXYVKZ-UHFFFAOYSA-N 2 2 237.253 2.241 10 0 BEAELP CC(C)[N@@H+]1CCCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616603727 350790150 /nfs/dbraw/zinc/79/01/50/350790150.db2.gz HBBKGAKACYEZOO-NSHDSACASA-N 2 2 207.321 2.388 10 0 BEAELP CC(C)[N@H+]1CCCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616603727 350790152 /nfs/dbraw/zinc/79/01/52/350790152.db2.gz HBBKGAKACYEZOO-NSHDSACASA-N 2 2 207.321 2.388 10 0 BEAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000616616213 350854700 /nfs/dbraw/zinc/85/47/00/350854700.db2.gz LLZVRCMKWVYZQQ-ZDUSSCGKSA-N 2 2 222.307 2.311 10 0 BEAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000616616213 350854702 /nfs/dbraw/zinc/85/47/02/350854702.db2.gz LLZVRCMKWVYZQQ-ZDUSSCGKSA-N 2 2 222.307 2.311 10 0 BEAELP CC(C)[N@@H+]1CCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616617655 350871474 /nfs/dbraw/zinc/87/14/74/350871474.db2.gz AYAMAFQCWCEHQO-LBPRGKRZSA-N 2 2 219.332 2.082 10 0 BEAELP CC(C)[N@H+]1CCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616617655 350871476 /nfs/dbraw/zinc/87/14/76/350871476.db2.gz AYAMAFQCWCEHQO-LBPRGKRZSA-N 2 2 219.332 2.082 10 0 BEAELP C[C@@H](C[NH2+]C1CC1)[N@H+](C)Cc1ccccc1 ZINC000052417393 350991521 /nfs/dbraw/zinc/99/15/21/350991521.db2.gz YPEMBYBDMNBQNB-LBPRGKRZSA-N 2 2 218.344 2.259 10 0 BEAELP C[C@@H](C[NH2+]C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000052417393 350991523 /nfs/dbraw/zinc/99/15/23/350991523.db2.gz YPEMBYBDMNBQNB-LBPRGKRZSA-N 2 2 218.344 2.259 10 0 BEAELP CC[N@@H+]1CCC[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616627645 351095954 /nfs/dbraw/zinc/09/59/54/351095954.db2.gz JYQCRPOKRNNWGJ-NSHDSACASA-N 2 2 219.332 2.084 10 0 BEAELP CC[N@H+]1CCC[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616627645 351095957 /nfs/dbraw/zinc/09/59/57/351095957.db2.gz JYQCRPOKRNNWGJ-NSHDSACASA-N 2 2 219.332 2.084 10 0 BEAELP CC(C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)CC1 ZINC000616627790 351096765 /nfs/dbraw/zinc/09/67/65/351096765.db2.gz NPMMRSFVBMPJPL-NSHDSACASA-N 2 2 207.321 2.388 10 0 BEAELP CC(C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)CC1 ZINC000616627790 351096770 /nfs/dbraw/zinc/09/67/70/351096770.db2.gz NPMMRSFVBMPJPL-NSHDSACASA-N 2 2 207.321 2.388 10 0 BEAELP Cc1cc(N[C@@H]2CCC[NH2+][C@H]2C)nc(C(C)C)[nH+]1 ZINC000229606585 187641797 /nfs/dbraw/zinc/64/17/97/187641797.db2.gz MTCGMIWEMAINSG-NWDGAFQWSA-N 2 2 248.374 2.461 10 0 BEAELP CC(C)C[C@@H](C[NH2+][C@@H]1CCCSC1)[NH+](C)C ZINC000061572288 188049734 /nfs/dbraw/zinc/04/97/34/188049734.db2.gz UCQBRAJSNFFMGE-OLZOCXBDSA-N 2 2 244.448 2.448 10 0 BEAELP Fc1ccccc1C[NH+]1CCC[NH2+]CCC1 ZINC000049664525 181011997 /nfs/dbraw/zinc/01/19/97/181011997.db2.gz YRSOVYLEHMHMDC-UHFFFAOYSA-N 2 2 222.307 2.011 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000251725049 535305463 /nfs/dbraw/zinc/30/54/63/535305463.db2.gz CDUJPAWRSSODBD-HZSPNIEDSA-N 2 2 242.407 2.120 10 0 BEAELP CC[N@H+](CC(C)C)CC12CCC(CC1)[NH2+]2 ZINC000675056785 538479026 /nfs/dbraw/zinc/47/90/26/538479026.db2.gz WWSMVULWWVXDMY-UHFFFAOYSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@@H+](CC(C)C)CC12CCC(CC1)[NH2+]2 ZINC000675056785 538479027 /nfs/dbraw/zinc/47/90/27/538479027.db2.gz WWSMVULWWVXDMY-UHFFFAOYSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000389540754 356985663 /nfs/dbraw/zinc/98/56/63/356985663.db2.gz KFADBHDOJRRAHR-RWMBFGLXSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000389540754 356985664 /nfs/dbraw/zinc/98/56/64/356985664.db2.gz KFADBHDOJRRAHR-RWMBFGLXSA-N 2 2 224.392 2.495 10 0 BEAELP C[C@@H]([NH3+])CCNc1ccc2ccccc2[nH+]1 ZINC000063171793 357552885 /nfs/dbraw/zinc/55/28/85/357552885.db2.gz OEBBZUCIZDZBJR-SNVBAGLBSA-N 2 2 215.300 2.384 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000040502207 358237550 /nfs/dbraw/zinc/23/75/50/358237550.db2.gz HMYZKBNUSYNKCH-ZDUSSCGKSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000040502207 358237552 /nfs/dbraw/zinc/23/75/52/358237552.db2.gz HMYZKBNUSYNKCH-ZDUSSCGKSA-N 2 2 222.376 2.249 10 0 BEAELP CCCC[C@H](COC)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000133045899 358744377 /nfs/dbraw/zinc/74/43/77/358744377.db2.gz FLQZQMOMWWMZQC-UONOGXRCSA-N 2 2 242.407 2.266 10 0 BEAELP CCCC[C@H](COC)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000133045899 358744379 /nfs/dbraw/zinc/74/43/79/358744379.db2.gz FLQZQMOMWWMZQC-UONOGXRCSA-N 2 2 242.407 2.266 10 0 BEAELP C[C@H](CC1CCC1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000132515266 491136470 /nfs/dbraw/zinc/13/64/70/491136470.db2.gz FPMXKPVTZMJGGO-YPMHNXCESA-N 2 2 210.365 2.249 10 0 BEAELP C[C@H](CC1CCC1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000132515266 491136471 /nfs/dbraw/zinc/13/64/71/491136471.db2.gz FPMXKPVTZMJGGO-YPMHNXCESA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000132518914 491136491 /nfs/dbraw/zinc/13/64/91/491136491.db2.gz OSXUCEAXSCLGOA-JHJVBQTASA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000132518914 491136492 /nfs/dbraw/zinc/13/64/92/491136492.db2.gz OSXUCEAXSCLGOA-JHJVBQTASA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000070143867 359043115 /nfs/dbraw/zinc/04/31/15/359043115.db2.gz RZZDBLWWNYQYKC-GFCCVEGCSA-N 2 2 238.379 2.010 10 0 BEAELP Cc1ccc([C@H]2[C@@H]([NH3+])CCC[N@H+]2C)s1 ZINC000069798556 360557814 /nfs/dbraw/zinc/55/78/14/360557814.db2.gz FQRWSNZJFFPWQY-GXSJLCMTSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccc([C@H]2[C@@H]([NH3+])CCC[N@@H+]2C)s1 ZINC000069798556 360557820 /nfs/dbraw/zinc/55/78/20/360557820.db2.gz FQRWSNZJFFPWQY-GXSJLCMTSA-N 2 2 210.346 2.151 10 0 BEAELP [NH3+][C@H](CCNc1cccc[nH+]1)Cc1ccccc1 ZINC000630572279 364268265 /nfs/dbraw/zinc/26/82/65/364268265.db2.gz QOCVVMHQJXSCJR-CQSZACIVSA-N 2 2 241.338 2.454 10 0 BEAELP [NH3+]CCCc1[nH]cc(-c2ccccc2F)[nH+]1 ZINC000036874295 181387006 /nfs/dbraw/zinc/38/70/06/181387006.db2.gz CJRUOZMSSCKVGY-UHFFFAOYSA-N 2 2 219.263 2.107 10 0 BEAELP [NH3+]CC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000062620188 181396704 /nfs/dbraw/zinc/39/67/04/181396704.db2.gz FPTNMCSDBAYRPG-NSHDSACASA-N 2 2 240.734 2.102 10 0 BEAELP [NH3+]CCc1[nH+]ccn1Cc1cccc(Cl)c1 ZINC000052304108 181414287 /nfs/dbraw/zinc/41/42/87/181414287.db2.gz RGVCYXBITWLSON-UHFFFAOYSA-N 2 2 235.718 2.086 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000576173407 365510101 /nfs/dbraw/zinc/51/01/01/365510101.db2.gz OXLMXPRGCMSYKV-RYUDHWBXSA-N 2 2 208.349 2.003 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000576173407 365510105 /nfs/dbraw/zinc/51/01/05/365510105.db2.gz OXLMXPRGCMSYKV-RYUDHWBXSA-N 2 2 208.349 2.003 10 0 BEAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)Cc1cccc(Cl)c1 ZINC000052944464 181626264 /nfs/dbraw/zinc/62/62/64/181626264.db2.gz LAVHABLIRKITCX-LLVKDONJSA-N 2 2 235.718 2.176 10 0 BEAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccccc2)C1 ZINC000038860722 372795033 /nfs/dbraw/zinc/79/50/33/372795033.db2.gz LHQTWACZUTUCKS-OCCSQVGLSA-N 2 2 218.344 2.418 10 0 BEAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccccc2)C1 ZINC000038860722 372795039 /nfs/dbraw/zinc/79/50/39/372795039.db2.gz LHQTWACZUTUCKS-OCCSQVGLSA-N 2 2 218.344 2.418 10 0 BEAELP COc1ccc(C)cc1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672765 373591354 /nfs/dbraw/zinc/59/13/54/373591354.db2.gz KDWDIQOJRKSLJC-CQSZACIVSA-N 2 2 248.370 2.187 10 0 BEAELP COc1ccc(C)cc1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672765 373591357 /nfs/dbraw/zinc/59/13/57/373591357.db2.gz KDWDIQOJRKSLJC-CQSZACIVSA-N 2 2 248.370 2.187 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]CCCC(C)C)[C@@H](C)C1 ZINC000309040223 170036047 /nfs/dbraw/zinc/03/60/47/170036047.db2.gz KRHCOTPRDBZNCR-STQMWFEESA-N 2 2 212.381 2.352 10 0 BEAELP CCCC[C@H]([NH3+])C[N@@H+]1CCC[C@H](OCCC)C1 ZINC000042425522 169008499 /nfs/dbraw/zinc/00/84/99/169008499.db2.gz UWWQBCMDQSYEBR-KBPBESRZSA-N 2 2 242.407 2.395 10 0 BEAELP CCCC[C@H]([NH3+])C[N@H+]1CCC[C@H](OCCC)C1 ZINC000042425522 169008502 /nfs/dbraw/zinc/00/85/02/169008502.db2.gz UWWQBCMDQSYEBR-KBPBESRZSA-N 2 2 242.407 2.395 10 0 BEAELP CCCCc1[nH+]ccn1-c1cc[nH+]cc1N ZINC000085343095 169028022 /nfs/dbraw/zinc/02/80/22/169028022.db2.gz RMSUHFYNYNEGCS-UHFFFAOYSA-N 2 2 216.288 2.192 10 0 BEAELP CCC[N@H+](C)[C@@H](C[NH3+])c1cccc(OCC)c1 ZINC000020226204 169086847 /nfs/dbraw/zinc/08/68/47/169086847.db2.gz SGGNGKILTHKGFC-AWEZNQCLSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1cccc(OCC)c1 ZINC000020226204 169086848 /nfs/dbraw/zinc/08/68/48/169086848.db2.gz SGGNGKILTHKGFC-AWEZNQCLSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[N@H+]([C@@H](C)c1ccncc1)[C@H]1CC[NH2+]C1 ZINC000071314493 169181749 /nfs/dbraw/zinc/18/17/49/169181749.db2.gz GMQSIJGDYBOQSB-JSGCOSHPSA-N 2 2 233.359 2.217 10 0 BEAELP CCC[N@@H+]([C@@H](C)c1ccncc1)[C@H]1CC[NH2+]C1 ZINC000071314493 169181750 /nfs/dbraw/zinc/18/17/50/169181750.db2.gz GMQSIJGDYBOQSB-JSGCOSHPSA-N 2 2 233.359 2.217 10 0 BEAELP CCC[NH2+]CC[C@H](C)[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540398 169261326 /nfs/dbraw/zinc/26/13/26/169261326.db2.gz YUJIHIUYJSWRJJ-IHRRRGAJSA-N 2 2 240.391 2.018 10 0 BEAELP CCC[NH2+]CC[C@H](C)[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540398 169261327 /nfs/dbraw/zinc/26/13/27/169261327.db2.gz YUJIHIUYJSWRJJ-IHRRRGAJSA-N 2 2 240.391 2.018 10 0 BEAELP c1cn(C[C@H]2CCC[NH2+]2)c(-c2ccccc2)[nH+]1 ZINC000043496151 183383748 /nfs/dbraw/zinc/38/37/48/183383748.db2.gz MCOXMVIQCPBDFD-CYBMUJFWSA-N 2 2 227.311 2.302 10 0 BEAELP CCC[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1CCOCC ZINC000111712154 169286840 /nfs/dbraw/zinc/28/68/40/169286840.db2.gz IUXINOUYLROXQS-ZIAGYGMSSA-N 2 2 242.407 2.266 10 0 BEAELP CCC[NH2+][C@H](C)[C@H]1CCCC[N@H+]1CCOCC ZINC000111712154 169286841 /nfs/dbraw/zinc/28/68/41/169286841.db2.gz IUXINOUYLROXQS-ZIAGYGMSSA-N 2 2 242.407 2.266 10 0 BEAELP CCC[NH2+][C@H](C[NH3+])c1ccccc1OC(F)F ZINC000050270583 169288824 /nfs/dbraw/zinc/28/88/24/169288824.db2.gz VPTDXHZZYWWFQT-SNVBAGLBSA-N 2 2 244.285 2.287 10 0 BEAELP CCC[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000053654648 169264518 /nfs/dbraw/zinc/26/45/18/169264518.db2.gz JLGNASYKHQTYFW-OAHLLOKOSA-N 2 2 247.386 2.293 10 0 BEAELP CCC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000053654648 169264519 /nfs/dbraw/zinc/26/45/19/169264519.db2.gz JLGNASYKHQTYFW-OAHLLOKOSA-N 2 2 247.386 2.293 10 0 BEAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+]C3CCC3)C2)cc1 ZINC000052208748 183392706 /nfs/dbraw/zinc/39/27/06/183392706.db2.gz WEEYSAJFJKMKJR-INIZCTEOSA-N 2 2 244.382 2.446 10 0 BEAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+]C3CCC3)C2)cc1 ZINC000052208748 183392710 /nfs/dbraw/zinc/39/27/10/183392710.db2.gz WEEYSAJFJKMKJR-INIZCTEOSA-N 2 2 244.382 2.446 10 0 BEAELP c1ccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683971 183395132 /nfs/dbraw/zinc/39/51/32/183395132.db2.gz USTGAQHTSVNNHE-AWEZNQCLSA-N 2 2 230.355 2.055 10 0 BEAELP c1ccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683971 183395134 /nfs/dbraw/zinc/39/51/34/183395134.db2.gz USTGAQHTSVNNHE-AWEZNQCLSA-N 2 2 230.355 2.055 10 0 BEAELP c1ccc(C[N@@H+]2CCC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000076677778 183398291 /nfs/dbraw/zinc/39/82/91/183398291.db2.gz LKNBKHREDVCVHZ-HUUCEWRRSA-N 2 2 230.355 2.261 10 0 BEAELP c1ccc(C[N@H+]2CCC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000076677778 183398292 /nfs/dbraw/zinc/39/82/92/183398292.db2.gz LKNBKHREDVCVHZ-HUUCEWRRSA-N 2 2 230.355 2.261 10 0 BEAELP CCC[NH2+][C@@H](C)c1csc(C[NH+](C)C)n1 ZINC000070841856 169277101 /nfs/dbraw/zinc/27/71/01/169277101.db2.gz OZBVADCKLINRGH-VIFPVBQESA-N 2 2 227.377 2.265 10 0 BEAELP CCC[NH2+][C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000050270450 169279667 /nfs/dbraw/zinc/27/96/67/169279667.db2.gz XZJGSBSLZVUIQL-NSHDSACASA-N 2 2 244.285 2.287 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccncc2)C[C@@H]1C ZINC000049712469 169282843 /nfs/dbraw/zinc/28/28/43/169282843.db2.gz BUKSUORUEUPMFK-DZGCQCFKSA-N 2 2 247.386 2.292 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccncc2)C[C@@H]1C ZINC000049712469 169282844 /nfs/dbraw/zinc/28/28/44/169282844.db2.gz BUKSUORUEUPMFK-DZGCQCFKSA-N 2 2 247.386 2.292 10 0 BEAELP CCCOc1ccc([C@@H](C)[N@H+](C)CC[NH3+])cc1 ZINC000054416968 169321207 /nfs/dbraw/zinc/32/12/07/169321207.db2.gz FAFQDJRGUBRLNS-GFCCVEGCSA-N 2 2 236.359 2.427 10 0 BEAELP CCCOc1ccc([C@@H](C)[N@@H+](C)CC[NH3+])cc1 ZINC000054416968 169321208 /nfs/dbraw/zinc/32/12/08/169321208.db2.gz FAFQDJRGUBRLNS-GFCCVEGCSA-N 2 2 236.359 2.427 10 0 BEAELP CCCOc1ccc([C@@H]([C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000071547423 169321576 /nfs/dbraw/zinc/32/15/76/169321576.db2.gz XJAFDMNGPANFNY-BXUZGUMPSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000020091974 169360315 /nfs/dbraw/zinc/36/03/15/169360315.db2.gz VLHUPRHZIXLLKF-OLZOCXBDSA-N 2 2 212.381 2.497 10 0 BEAELP CCC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000020091974 169360316 /nfs/dbraw/zinc/36/03/16/169360316.db2.gz VLHUPRHZIXLLKF-OLZOCXBDSA-N 2 2 212.381 2.497 10 0 BEAELP C[C@H]([NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1)c1nccs1 ZINC000222737190 134334160 /nfs/dbraw/zinc/33/41/60/134334160.db2.gz FHBBMGDRTXSJGC-HBNTYKKESA-N 2 2 239.388 2.276 10 0 BEAELP CC[C@](C)(C[NH2+][C@H](CC(C)C)C[NH+](C)C)OC ZINC000319621199 384268629 /nfs/dbraw/zinc/26/86/29/384268629.db2.gz LLABFKPGRHKHPF-ZIAGYGMSSA-N 2 2 244.423 2.367 10 0 BEAELP [NH3+]C[C@@H]1CC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000335579857 384342894 /nfs/dbraw/zinc/34/28/94/384342894.db2.gz JLDGYTNVSDENBA-DGCLKSJQSA-N 2 2 241.338 2.196 10 0 BEAELP C[N@H+](CC[NH3+])[C@H]1CCCc2sccc21 ZINC000061330068 384395585 /nfs/dbraw/zinc/39/55/85/384395585.db2.gz RQRQPLSBXJINQF-JTQLQIEISA-N 2 2 210.346 2.016 10 0 BEAELP C[N@@H+](CC[NH3+])[C@H]1CCCc2sccc21 ZINC000061330068 384395595 /nfs/dbraw/zinc/39/55/95/384395595.db2.gz RQRQPLSBXJINQF-JTQLQIEISA-N 2 2 210.346 2.016 10 0 BEAELP CCC[C@H](C)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037156839 384485068 /nfs/dbraw/zinc/48/50/68/384485068.db2.gz LMELOVQSELIKJT-RYUDHWBXSA-N 2 2 209.337 2.297 10 0 BEAELP CC(C)=CC[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376767486 384914642 /nfs/dbraw/zinc/91/46/42/384914642.db2.gz JMVIASKLUHSLQT-UHFFFAOYSA-N 2 2 219.332 2.275 10 0 BEAELP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@@H]1C ZINC000309139663 385433330 /nfs/dbraw/zinc/43/33/30/385433330.db2.gz STKTVSXPIOPULS-WCQYABFASA-N 2 2 204.317 2.321 10 0 BEAELP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309335021 385533812 /nfs/dbraw/zinc/53/38/12/385533812.db2.gz IUWLNTUSETVYNW-STQMWFEESA-N 2 2 230.371 2.445 10 0 BEAELP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309335021 385533816 /nfs/dbraw/zinc/53/38/16/385533816.db2.gz IUWLNTUSETVYNW-STQMWFEESA-N 2 2 230.371 2.445 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000414548926 385724896 /nfs/dbraw/zinc/72/48/96/385724896.db2.gz LCOLFTGTVXGWMO-AWEZNQCLSA-N 2 2 248.370 2.187 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000414548926 385724899 /nfs/dbraw/zinc/72/48/99/385724899.db2.gz LCOLFTGTVXGWMO-AWEZNQCLSA-N 2 2 248.370 2.187 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@H]1C ZINC000336746236 385929815 /nfs/dbraw/zinc/92/98/15/385929815.db2.gz BSBDLEFAMGIKTJ-JHJVBQTASA-N 2 2 212.381 2.208 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000189523962 386021706 /nfs/dbraw/zinc/02/17/06/386021706.db2.gz UABDKYXSMBTDOV-IYXRBSQSSA-N 2 2 240.391 2.016 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000189523962 386021711 /nfs/dbraw/zinc/02/17/11/386021711.db2.gz UABDKYXSMBTDOV-IYXRBSQSSA-N 2 2 240.391 2.016 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000061839591 386547151 /nfs/dbraw/zinc/54/71/51/386547151.db2.gz FYQBBVLSWUFMPO-GFCCVEGCSA-N 2 2 212.381 2.497 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000061839591 386547157 /nfs/dbraw/zinc/54/71/57/386547157.db2.gz FYQBBVLSWUFMPO-GFCCVEGCSA-N 2 2 212.381 2.497 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000396589036 386777732 /nfs/dbraw/zinc/77/77/32/386777732.db2.gz SLMLYLKXUWLUMH-SGMGOOAPSA-N 2 2 218.344 2.478 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418090400 387097804 /nfs/dbraw/zinc/09/78/04/387097804.db2.gz CMXJJBNMCSWNCR-JYJNAYRXSA-N 2 2 244.382 2.474 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418090400 387097812 /nfs/dbraw/zinc/09/78/12/387097812.db2.gz CMXJJBNMCSWNCR-JYJNAYRXSA-N 2 2 244.382 2.474 10 0 BEAELP C[C@@H](c1ccccc1F)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621529 387860573 /nfs/dbraw/zinc/86/05/73/387860573.db2.gz GICFMGNUNCDREB-RWMBFGLXSA-N 2 2 248.345 2.380 10 0 BEAELP C[C@@H](c1ccccc1F)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621529 387860575 /nfs/dbraw/zinc/86/05/75/387860575.db2.gz GICFMGNUNCDREB-RWMBFGLXSA-N 2 2 248.345 2.380 10 0 BEAELP C[C@@H](c1ccccc1F)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193621529 387860578 /nfs/dbraw/zinc/86/05/78/387860578.db2.gz GICFMGNUNCDREB-RWMBFGLXSA-N 2 2 248.345 2.380 10 0 BEAELP C[N@@H+]1CCCC[C@@H]([NH3+])[C@H]1c1cccs1 ZINC000250556855 388177493 /nfs/dbraw/zinc/17/74/93/388177493.db2.gz BGMKFAOTMVIHHI-KOLCDFICSA-N 2 2 210.346 2.232 10 0 BEAELP C[N@H+]1CCCC[C@@H]([NH3+])[C@H]1c1cccs1 ZINC000250556855 388177495 /nfs/dbraw/zinc/17/74/95/388177495.db2.gz BGMKFAOTMVIHHI-KOLCDFICSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H]([NH2+][C@H]1CSC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000393852963 388444163 /nfs/dbraw/zinc/44/41/63/388444163.db2.gz OICIYLBQWSZNIZ-AXFHLTTASA-N 2 2 228.405 2.001 10 0 BEAELP CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)[C@H]1CC1(C)C ZINC000397599342 388482002 /nfs/dbraw/zinc/48/20/02/388482002.db2.gz LIMHIMMGZGTYIM-XQQFMLRXSA-N 2 2 224.392 2.495 10 0 BEAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)[C@H]1CC1(C)C ZINC000397599342 388482004 /nfs/dbraw/zinc/48/20/04/388482004.db2.gz LIMHIMMGZGTYIM-XQQFMLRXSA-N 2 2 224.392 2.495 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CC2)C1 ZINC000246269714 388627791 /nfs/dbraw/zinc/62/77/91/388627791.db2.gz RQEQCOPNQBMYLJ-WZRBSPASSA-N 2 2 210.365 2.103 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CC2)C1 ZINC000246269714 388627794 /nfs/dbraw/zinc/62/77/94/388627794.db2.gz RQEQCOPNQBMYLJ-WZRBSPASSA-N 2 2 210.365 2.103 10 0 BEAELP Cc1nc(NC2CCC(C[NH+](C)C)CC2)cc[nH+]1 ZINC000128170997 388740359 /nfs/dbraw/zinc/74/03/59/388740359.db2.gz OPKQONRJCNRXMA-UHFFFAOYSA-N 2 2 248.374 2.317 10 0 BEAELP CCC[NH2+]C[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000054937647 132365338 /nfs/dbraw/zinc/36/53/38/132365338.db2.gz TTYJOULXTAHZTE-CYBMUJFWSA-N 2 2 248.374 2.001 10 0 BEAELP Cc1cc([NH3+])ccc1N1CCC([NH+](C)C)CC1 ZINC000057579605 132365954 /nfs/dbraw/zinc/36/59/54/132365954.db2.gz FVVOECJRLWRIOJ-UHFFFAOYSA-N 2 2 233.359 2.108 10 0 BEAELP C[C@H]1CN(c2ccc([NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000071560179 132394638 /nfs/dbraw/zinc/39/46/38/132394638.db2.gz HQTNSJKXIIGOQT-ZDUSSCGKSA-N 2 2 245.370 2.085 10 0 BEAELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(C)C)C2 ZINC000150971531 134458024 /nfs/dbraw/zinc/45/80/24/134458024.db2.gz HQYQECNAJVFHOE-NWDGAFQWSA-N 2 2 221.348 2.140 10 0 BEAELP CC(C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000250778350 135058978 /nfs/dbraw/zinc/05/89/78/135058978.db2.gz VYFGADZHAAAVGI-KBPBESRZSA-N 2 2 233.359 2.072 10 0 BEAELP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000250778350 135058979 /nfs/dbraw/zinc/05/89/79/135058979.db2.gz VYFGADZHAAAVGI-KBPBESRZSA-N 2 2 233.359 2.072 10 0 BEAELP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccccc1OC ZINC000261554910 135194336 /nfs/dbraw/zinc/19/43/36/135194336.db2.gz PJYPOBKNDIFTPW-LOWVWBTDSA-N 2 2 236.359 2.472 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000336653180 167027044 /nfs/dbraw/zinc/02/70/44/167027044.db2.gz GAGYLENCSHCRIL-MRTXSQPYSA-N 2 2 224.392 2.349 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000336653180 167027048 /nfs/dbraw/zinc/02/70/48/167027048.db2.gz GAGYLENCSHCRIL-MRTXSQPYSA-N 2 2 224.392 2.349 10 0 BEAELP C[NH2+][C@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000394512566 410805095 /nfs/dbraw/zinc/80/50/95/410805095.db2.gz OXTMPAMNCWSEQY-RYUDHWBXSA-N 2 2 246.345 2.496 10 0 BEAELP C[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000394512566 410805101 /nfs/dbraw/zinc/80/51/01/410805101.db2.gz OXTMPAMNCWSEQY-RYUDHWBXSA-N 2 2 246.345 2.496 10 0 BEAELP CC(C)C[NH2+]Cc1coc(Cn2cc[nH+]c2)c1 ZINC000052575451 167010266 /nfs/dbraw/zinc/01/02/66/167010266.db2.gz GJDXOKUUCLHLNI-UHFFFAOYSA-N 2 2 233.315 2.270 10 0 BEAELP CC(C)[N@H+]1C[C@H]([NH2+]C2CC(C)(C)C2)[C@@H](C)C1 ZINC000309687523 167032662 /nfs/dbraw/zinc/03/26/62/167032662.db2.gz OOQDWSHQSRQGRY-AAEUAGOBSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@@H+]1C[C@H]([NH2+]C2CC(C)(C)C2)[C@@H](C)C1 ZINC000309687523 167032664 /nfs/dbraw/zinc/03/26/64/167032664.db2.gz OOQDWSHQSRQGRY-AAEUAGOBSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[NH2+]CC[N@H+](C)CCc1ccc(F)cc1 ZINC000181269496 167102927 /nfs/dbraw/zinc/10/29/27/167102927.db2.gz ILLAOGVKURRPNW-UHFFFAOYSA-N 2 2 238.350 2.298 10 0 BEAELP CC(C)[NH2+]CC[N@@H+](C)CCc1ccc(F)cc1 ZINC000181269496 167102929 /nfs/dbraw/zinc/10/29/29/167102929.db2.gz ILLAOGVKURRPNW-UHFFFAOYSA-N 2 2 238.350 2.298 10 0 BEAELP CC(C)[NH2+]CC[C@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543649 167109292 /nfs/dbraw/zinc/10/92/92/167109292.db2.gz IWSZAHPDIYFPGK-QWHCGFSZSA-N 2 2 242.407 2.262 10 0 BEAELP CC(C)[NH2+]CC[C@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543649 167109296 /nfs/dbraw/zinc/10/92/96/167109296.db2.gz IWSZAHPDIYFPGK-QWHCGFSZSA-N 2 2 242.407 2.262 10 0 BEAELP CC(C)[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccccn1 ZINC000052478769 167111664 /nfs/dbraw/zinc/11/16/64/167111664.db2.gz ZAHGVEUDOJNEFI-CYBMUJFWSA-N 2 2 235.375 2.148 10 0 BEAELP CC(C)[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccccn1 ZINC000052478769 167111666 /nfs/dbraw/zinc/11/16/66/167111666.db2.gz ZAHGVEUDOJNEFI-CYBMUJFWSA-N 2 2 235.375 2.148 10 0 BEAELP CC(C)[NH2+][C@@]1(C[NH3+])CCCc2ccccc21 ZINC000050270931 167136205 /nfs/dbraw/zinc/13/62/05/167136205.db2.gz QBZBTMGUYKKTEA-CQSZACIVSA-N 2 2 218.344 2.175 10 0 BEAELP CC(C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000152014574 167140454 /nfs/dbraw/zinc/14/04/54/167140454.db2.gz NVXPFFFEPDEPDQ-HIFRSBDPSA-N 2 2 247.386 2.290 10 0 BEAELP CC(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000152014574 167140458 /nfs/dbraw/zinc/14/04/58/167140458.db2.gz NVXPFFFEPDEPDQ-HIFRSBDPSA-N 2 2 247.386 2.290 10 0 BEAELP CC[NH+](CC)CC[C@H]([NH3+])c1cccs1 ZINC000020274136 169784390 /nfs/dbraw/zinc/78/43/90/169784390.db2.gz DZAUSWMIZKKSSV-JTQLQIEISA-N 2 2 212.362 2.480 10 0 BEAELP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000123443252 411153199 /nfs/dbraw/zinc/15/31/99/411153199.db2.gz GAGRGHPJBIOOBL-AWEZNQCLSA-N 2 2 248.370 2.105 10 0 BEAELP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000123443252 411153200 /nfs/dbraw/zinc/15/32/00/411153200.db2.gz GAGRGHPJBIOOBL-AWEZNQCLSA-N 2 2 248.370 2.105 10 0 BEAELP CC[NH+](CC)c1ccccc1CCC[NH3+] ZINC000020269628 169805033 /nfs/dbraw/zinc/80/50/33/169805033.db2.gz LWNQAEAFFZSLOZ-UHFFFAOYSA-N 2 2 206.333 2.424 10 0 BEAELP COc1cccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000396728741 411240365 /nfs/dbraw/zinc/24/03/65/411240365.db2.gz ZYCYYLCFKYSNOB-HUBLWGQQSA-N 2 2 248.370 2.486 10 0 BEAELP c1ccc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)[nH+]c1 ZINC000656608851 411307965 /nfs/dbraw/zinc/30/79/65/411307965.db2.gz NMMBZLRXEZNCDZ-CQSZACIVSA-N 2 2 245.370 2.298 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000336779089 170029187 /nfs/dbraw/zinc/02/91/87/170029187.db2.gz NDVODXDNOMWVNU-MFKMUULPSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000336779089 170029188 /nfs/dbraw/zinc/02/91/88/170029188.db2.gz NDVODXDNOMWVNU-MFKMUULPSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccs2)C1 ZINC000336753920 170037848 /nfs/dbraw/zinc/03/78/48/170037848.db2.gz HCUNMUGDDUWZOL-CMPLNLGQSA-N 2 2 224.373 2.178 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccs2)C1 ZINC000336753920 170037849 /nfs/dbraw/zinc/03/78/49/170037849.db2.gz HCUNMUGDDUWZOL-CMPLNLGQSA-N 2 2 224.373 2.178 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000336776214 170038654 /nfs/dbraw/zinc/03/86/54/170038654.db2.gz FCWDIAMBPLHFQM-MELADBBJSA-N 2 2 222.376 2.273 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000336776214 170038655 /nfs/dbraw/zinc/03/86/55/170038655.db2.gz FCWDIAMBPLHFQM-MELADBBJSA-N 2 2 222.376 2.273 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC000309046084 170039605 /nfs/dbraw/zinc/03/96/05/170039605.db2.gz ORNZPOCMYHDFLA-WUHRBBMRSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC000309046084 170039606 /nfs/dbraw/zinc/03/96/06/170039606.db2.gz ORNZPOCMYHDFLA-WUHRBBMRSA-N 2 2 210.365 2.105 10 0 BEAELP CC[NH2+]C(C)(C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000061299627 170107696 /nfs/dbraw/zinc/10/76/96/170107696.db2.gz BCBHVKQJXVIWJD-VXGBXAGGSA-N 2 2 212.381 2.352 10 0 BEAELP CC[NH2+]C[C@@](C)(CC)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000051209969 170120857 /nfs/dbraw/zinc/12/08/57/170120857.db2.gz FTPQLRJJCONKIN-HZSPNIEDSA-N 2 2 242.407 2.121 10 0 BEAELP CC[NH2+]C[C@@](C)(CC)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000051209969 170120858 /nfs/dbraw/zinc/12/08/58/170120858.db2.gz FTPQLRJJCONKIN-HZSPNIEDSA-N 2 2 242.407 2.121 10 0 BEAELP CC[NH2+]Cc1csc(C[NH+](CC)CC)n1 ZINC000045206610 170130402 /nfs/dbraw/zinc/13/04/02/170130402.db2.gz VSKJHKUSCHGSGW-UHFFFAOYSA-N 2 2 227.377 2.094 10 0 BEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1ccccc1 ZINC000035570535 170146461 /nfs/dbraw/zinc/14/64/61/170146461.db2.gz CNBRNROSVKBNBR-ZDUSSCGKSA-N 2 2 229.327 2.173 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+](Cc2ccco2)C[C@@H]1C ZINC000049708492 170151351 /nfs/dbraw/zinc/15/13/51/170151351.db2.gz VDRJNZINHPNWCE-WCQYABFASA-N 2 2 222.332 2.100 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccco2)C[C@@H]1C ZINC000049708492 170151353 /nfs/dbraw/zinc/15/13/53/170151353.db2.gz VDRJNZINHPNWCE-WCQYABFASA-N 2 2 222.332 2.100 10 0 BEAELP CC[NH2+][C@H](C)[C@H](C)[NH+]1CCC(C)(C)CC1 ZINC000061819762 170158563 /nfs/dbraw/zinc/15/85/63/170158563.db2.gz WTRLLOAURGPWPF-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP CCOCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC(C)C ZINC000053653119 170398557 /nfs/dbraw/zinc/39/85/57/170398557.db2.gz GAUXCKBIVVQZGU-CQSZACIVSA-N 2 2 242.407 2.123 10 0 BEAELP CCOCC[N@H+]1CCCC[C@@H]1C[NH2+]CC(C)C ZINC000053653119 170398559 /nfs/dbraw/zinc/39/85/59/170398559.db2.gz GAUXCKBIVVQZGU-CQSZACIVSA-N 2 2 242.407 2.123 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657844272 411610768 /nfs/dbraw/zinc/61/07/68/411610768.db2.gz IDUSLHCGYWAITM-STQMWFEESA-N 2 2 242.432 2.346 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657844272 411610769 /nfs/dbraw/zinc/61/07/69/411610769.db2.gz IDUSLHCGYWAITM-STQMWFEESA-N 2 2 242.432 2.346 10 0 BEAELP CC[C@@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000309169678 170752342 /nfs/dbraw/zinc/75/23/42/170752342.db2.gz KTIFPECTBSHASN-GHMZBOCLSA-N 2 2 207.321 2.149 10 0 BEAELP CC[C@@H]1CCN(c2c[nH+]ccc2C)CCC[NH2+]1 ZINC000071414246 171014542 /nfs/dbraw/zinc/01/45/42/171014542.db2.gz MXQDAFOKUUYGTK-CYBMUJFWSA-N 2 2 233.359 2.358 10 0 BEAELP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+](C)Cc2ccncc2)C1 ZINC000036775963 171040203 /nfs/dbraw/zinc/04/02/03/171040203.db2.gz BEIKTPYOMOFYAF-BPLDGKMQSA-N 2 2 247.386 2.419 10 0 BEAELP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+](C)Cc2ccncc2)C1 ZINC000036775963 171040205 /nfs/dbraw/zinc/04/02/05/171040205.db2.gz BEIKTPYOMOFYAF-BPLDGKMQSA-N 2 2 247.386 2.419 10 0 BEAELP CC[C@@H]1COCC[N@@H+]1CCC[NH2+]C1CCCC1 ZINC000053499257 171106895 /nfs/dbraw/zinc/10/68/95/171106895.db2.gz PQYOGENOCVWBOQ-CQSZACIVSA-N 2 2 240.391 2.020 10 0 BEAELP CC[C@@H]1COCC[N@H+]1CCC[NH2+]C1CCCC1 ZINC000053499257 171106897 /nfs/dbraw/zinc/10/68/97/171106897.db2.gz PQYOGENOCVWBOQ-CQSZACIVSA-N 2 2 240.391 2.020 10 0 BEAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1[C@@H](C)CC[NH2+]C(C)C ZINC000052571277 171111300 /nfs/dbraw/zinc/11/13/00/171111300.db2.gz YYTOYAJGUHSYRE-MELADBBJSA-N 2 2 242.407 2.262 10 0 BEAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1[C@@H](C)CC[NH2+]C(C)C ZINC000052571277 171111302 /nfs/dbraw/zinc/11/13/02/171111302.db2.gz YYTOYAJGUHSYRE-MELADBBJSA-N 2 2 242.407 2.262 10 0 BEAELP CC[C@H](C)C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000309696618 171284778 /nfs/dbraw/zinc/28/47/78/171284778.db2.gz LEDIEYPRUPFETC-RYUDHWBXSA-N 2 2 221.348 2.396 10 0 BEAELP CC[C@H](C)[N@@H+]1CCC[NH2+][C@H](CC(C)C)C1 ZINC000062571076 171317964 /nfs/dbraw/zinc/31/79/64/171317964.db2.gz SUZDCVPYYDEPOR-QWHCGFSZSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@H](C)[N@H+]1CCC[NH2+][C@H](CC(C)C)C1 ZINC000062571076 171317966 /nfs/dbraw/zinc/31/79/66/171317966.db2.gz SUZDCVPYYDEPOR-QWHCGFSZSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000309183860 171391528 /nfs/dbraw/zinc/39/15/28/171391528.db2.gz OFZNSFKUYBTUBU-CYDGBPFRSA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309183860 171391529 /nfs/dbraw/zinc/39/15/29/171391529.db2.gz OFZNSFKUYBTUBU-CYDGBPFRSA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H](C)[C@H](C[NH3+])[NH+]1Cc2ccccc2C1 ZINC000050910528 171392185 /nfs/dbraw/zinc/39/21/85/171392185.db2.gz SWVCNTPPYGODPW-FZMZJTMJSA-N 2 2 218.344 2.376 10 0 BEAELP CC[C@H](C)[C@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000039141111 171396112 /nfs/dbraw/zinc/39/61/12/171396112.db2.gz MGPIEJXAMLBJJD-GXTWGEPZSA-N 2 2 220.360 2.492 10 0 BEAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000039141111 171396113 /nfs/dbraw/zinc/39/61/13/171396113.db2.gz MGPIEJXAMLBJJD-GXTWGEPZSA-N 2 2 220.360 2.492 10 0 BEAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CCc2sccc2C1 ZINC000020072169 171396192 /nfs/dbraw/zinc/39/61/92/171396192.db2.gz JXOZQKLXFSTKNZ-CMPLNLGQSA-N 2 2 238.400 2.480 10 0 BEAELP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CCc2sccc2C1 ZINC000020072169 171396194 /nfs/dbraw/zinc/39/61/94/171396194.db2.gz JXOZQKLXFSTKNZ-CMPLNLGQSA-N 2 2 238.400 2.480 10 0 BEAELP CCc1cc(N[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000045955168 171768913 /nfs/dbraw/zinc/76/89/13/171768913.db2.gz WYSQADGTXRJETO-GFCCVEGCSA-N 2 2 248.374 2.326 10 0 BEAELP CCn1cc[nH+]c1C[C@H]([NH3+])c1ccccc1 ZINC000061881032 172225613 /nfs/dbraw/zinc/22/56/13/172225613.db2.gz YONHMCBIBIUZJZ-LBPRGKRZSA-N 2 2 215.300 2.146 10 0 BEAELP C[NH+](C)C[C@H]([NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000071561442 172491077 /nfs/dbraw/zinc/49/10/77/172491077.db2.gz SYTMFKSPUVMFJZ-SECBINFHSA-N 2 2 247.169 2.425 10 0 BEAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000044561555 173004514 /nfs/dbraw/zinc/00/45/14/173004514.db2.gz KDVZKJQWSYPQOZ-UONOGXRCSA-N 2 2 222.376 2.417 10 0 BEAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000044561555 173004516 /nfs/dbraw/zinc/00/45/16/173004516.db2.gz KDVZKJQWSYPQOZ-UONOGXRCSA-N 2 2 222.376 2.417 10 0 BEAELP C[NH2+]C1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000036779622 173322910 /nfs/dbraw/zinc/32/29/10/173322910.db2.gz JDIKSODJPKLZSN-UHFFFAOYSA-N 2 2 236.334 2.052 10 0 BEAELP C[NH2+]CCCOCc1ccc2c(c1)[nH+]c(C)n2C ZINC000077418425 173349747 /nfs/dbraw/zinc/34/97/47/173349747.db2.gz LKTAMWWFOAJHRL-UHFFFAOYSA-N 2 2 247.342 2.008 10 0 BEAELP C[NH2+]CCCc1[nH]c2ccc(C)cc2[nH+]1 ZINC000037288929 173351645 /nfs/dbraw/zinc/35/16/45/173351645.db2.gz ZTGGPIZZTBMGAZ-UHFFFAOYSA-N 2 2 203.289 2.023 10 0 BEAELP C[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000039978698 173366899 /nfs/dbraw/zinc/36/68/99/173366899.db2.gz DASBTNVHEOVJTR-AWEZNQCLSA-N 2 2 234.343 2.052 10 0 BEAELP C[NH2+]C[C@H](C)n1c[nH+]c2cc(C)c(C)cc21 ZINC000052575702 173376142 /nfs/dbraw/zinc/37/61/42/173376142.db2.gz AEKJJAMEIPLKMC-NSHDSACASA-N 2 2 217.316 2.434 10 0 BEAELP C[NH2+]Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000049327139 173388906 /nfs/dbraw/zinc/38/89/06/173388906.db2.gz DUDGKPZOSVOFRJ-UHFFFAOYSA-N 2 2 245.326 2.072 10 0 BEAELP C[NH2+]Cc1ccoc1C[N@H+](C)Cc1ccccn1 ZINC000052478784 173390990 /nfs/dbraw/zinc/39/09/90/173390990.db2.gz IDYWFNXFRBJLEC-UHFFFAOYSA-N 2 2 245.326 2.026 10 0 BEAELP C[NH2+]Cc1ccoc1C[N@@H+](C)Cc1ccccn1 ZINC000052478784 173390991 /nfs/dbraw/zinc/39/09/91/173390991.db2.gz IDYWFNXFRBJLEC-UHFFFAOYSA-N 2 2 245.326 2.026 10 0 BEAELP COC1CC[NH+]([C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000037266216 174030684 /nfs/dbraw/zinc/03/06/84/174030684.db2.gz DATWMZZAIDNYMS-KBPBESRZSA-N 2 2 240.391 2.147 10 0 BEAELP COCC[N@H+]([C@H](C)C[NH2+]C1CCCC1)C1CC1 ZINC000053496554 174284566 /nfs/dbraw/zinc/28/45/66/174284566.db2.gz VKAFYYQDMSDQAZ-GFCCVEGCSA-N 2 2 240.391 2.018 10 0 BEAELP COCC[N@@H+]([C@H](C)C[NH2+]C1CCCC1)C1CC1 ZINC000053496554 174284568 /nfs/dbraw/zinc/28/45/68/174284568.db2.gz VKAFYYQDMSDQAZ-GFCCVEGCSA-N 2 2 240.391 2.018 10 0 BEAELP COCC[N@H+]([C@@H](C)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518142 174285023 /nfs/dbraw/zinc/28/50/23/174285023.db2.gz FVKNOARXDDTBTB-SWLSCSKDSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@@H+]([C@@H](C)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518142 174285024 /nfs/dbraw/zinc/28/50/24/174285024.db2.gz FVKNOARXDDTBTB-SWLSCSKDSA-N 2 2 248.370 2.186 10 0 BEAELP COc1ccc(C)cc1[C@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000038086949 175080944 /nfs/dbraw/zinc/08/09/44/175080944.db2.gz SWVVTMXXPLWVEE-ZDUSSCGKSA-N 2 2 248.370 2.360 10 0 BEAELP COc1ccc(C)cc1[C@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000038086949 175080946 /nfs/dbraw/zinc/08/09/46/175080946.db2.gz SWVVTMXXPLWVEE-ZDUSSCGKSA-N 2 2 248.370 2.360 10 0 BEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000042960006 175182294 /nfs/dbraw/zinc/18/22/94/175182294.db2.gz QSBOOVHAANSDJY-BXUZGUMPSA-N 2 2 234.343 2.179 10 0 BEAELP COc1ccc2[nH]c(CC[NH2+]C(C)C)[nH+]c2c1 ZINC000071743304 175229468 /nfs/dbraw/zinc/22/94/68/175229468.db2.gz MOYDLAHQASLRAW-UHFFFAOYSA-N 2 2 233.315 2.112 10 0 BEAELP COc1cccc([C@@H](C[NH3+])[N@H+](C)C(C)C)c1 ZINC000022221295 175287489 /nfs/dbraw/zinc/28/74/89/175287489.db2.gz OVTVBGJAWAOEBW-CYBMUJFWSA-N 2 2 222.332 2.035 10 0 BEAELP COc1cccc([C@@H](C[NH3+])[N@@H+](C)C(C)C)c1 ZINC000022221295 175287490 /nfs/dbraw/zinc/28/74/90/175287490.db2.gz OVTVBGJAWAOEBW-CYBMUJFWSA-N 2 2 222.332 2.035 10 0 BEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CC2CC2)c1 ZINC000043027326 175290023 /nfs/dbraw/zinc/29/00/23/175290023.db2.gz UGBKHBWSXSVVPJ-IAQYHMDHSA-N 2 2 248.370 2.425 10 0 BEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000043027326 175290024 /nfs/dbraw/zinc/29/00/24/175290024.db2.gz UGBKHBWSXSVVPJ-IAQYHMDHSA-N 2 2 248.370 2.425 10 0 BEAELP COc1cccc2c1cc[nH+]c2NCCC[NH3+] ZINC000082766051 175300007 /nfs/dbraw/zinc/30/00/07/175300007.db2.gz AJCUFXNDCQMMED-UHFFFAOYSA-N 2 2 231.299 2.004 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)[C@@H](C)C1CC1 ZINC000036783335 175353394 /nfs/dbraw/zinc/35/33/94/175353394.db2.gz RJGFVKPZARZQMG-FZMZJTMJSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)[C@@H](C)C1CC1 ZINC000036783335 175353396 /nfs/dbraw/zinc/35/33/96/175353396.db2.gz RJGFVKPZARZQMG-FZMZJTMJSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)C[C@@H]1C[C@H]1C ZINC000111765795 175353541 /nfs/dbraw/zinc/35/35/41/175353541.db2.gz LMCYWDHXBDCWLA-DYEKYZERSA-N 2 2 248.370 2.283 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)C[C@@H]1C[C@H]1C ZINC000111765795 175353544 /nfs/dbraw/zinc/35/35/44/175353544.db2.gz LMCYWDHXBDCWLA-DYEKYZERSA-N 2 2 248.370 2.283 10 0 BEAELP COc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000043097115 175354341 /nfs/dbraw/zinc/35/43/41/175354341.db2.gz ZNJWOMXYNQDUJL-YGRLFVJLSA-N 2 2 234.343 2.178 10 0 BEAELP COc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000043097115 175354342 /nfs/dbraw/zinc/35/43/42/175354342.db2.gz ZNJWOMXYNQDUJL-YGRLFVJLSA-N 2 2 234.343 2.178 10 0 BEAELP C[C@@H](c1cccs1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000100256886 176034745 /nfs/dbraw/zinc/03/47/45/176034745.db2.gz GDFXQLRAYRSHNS-VHSXEESVSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H](c1cccs1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000100256886 176034746 /nfs/dbraw/zinc/03/47/46/176034746.db2.gz GDFXQLRAYRSHNS-VHSXEESVSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+]1CCCSCC1 ZINC000042443610 176083417 /nfs/dbraw/zinc/08/34/17/176083417.db2.gz DJCVHWGKHFTUOL-OLZOCXBDSA-N 2 2 242.432 2.333 10 0 BEAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+]1CCCSCC1 ZINC000042443610 176083418 /nfs/dbraw/zinc/08/34/18/176083418.db2.gz DJCVHWGKHFTUOL-OLZOCXBDSA-N 2 2 242.432 2.333 10 0 BEAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)Cc1ccccn1 ZINC000036777247 176083705 /nfs/dbraw/zinc/08/37/05/176083705.db2.gz LCWDEMFVTRXTJG-HIFRSBDPSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)Cc1ccccn1 ZINC000036777247 176083707 /nfs/dbraw/zinc/08/37/07/176083707.db2.gz LCWDEMFVTRXTJG-HIFRSBDPSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CC[N@@H+](C2CCCCCC2)CC[NH2+]1 ZINC000049661875 176167437 /nfs/dbraw/zinc/16/74/37/176167437.db2.gz WGEUOLJARQZQQD-GFCCVEGCSA-N 2 2 210.365 2.393 10 0 BEAELP C[C@@H]1CC[N@H+](C2CCCCCC2)CC[NH2+]1 ZINC000049661875 176167439 /nfs/dbraw/zinc/16/74/39/176167439.db2.gz WGEUOLJARQZQQD-GFCCVEGCSA-N 2 2 210.365 2.393 10 0 BEAELP C[C@@H]1C[N@@H+]([C@@H]2CCCCCC[C@@H]2[NH3+])[C@H](C)CO1 ZINC000035784280 176315829 /nfs/dbraw/zinc/31/58/29/176315829.db2.gz RBSJZVNOLSMJBB-YIYPIFLZSA-N 2 2 240.391 2.146 10 0 BEAELP C[C@@H]1C[N@H+]([C@@H]2CCCCCC[C@@H]2[NH3+])[C@H](C)CO1 ZINC000035784280 176315830 /nfs/dbraw/zinc/31/58/30/176315830.db2.gz RBSJZVNOLSMJBB-YIYPIFLZSA-N 2 2 240.391 2.146 10 0 BEAELP C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)n1cc[nH+]c1 ZINC000043016606 176770927 /nfs/dbraw/zinc/77/09/27/176770927.db2.gz XJRCKILVJMUIBQ-JOYOIKCWSA-N 2 2 235.718 2.473 10 0 BEAELP C[C@H](c1cccs1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027783 177048612 /nfs/dbraw/zinc/04/86/12/177048612.db2.gz GDFXQLRAYRSHNS-ZJUUUORDSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H](c1cccs1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027783 177048614 /nfs/dbraw/zinc/04/86/14/177048614.db2.gz GDFXQLRAYRSHNS-ZJUUUORDSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H](c1cccs1)[N@H+](C)C(C)(C)C[NH3+] ZINC000049726293 177049114 /nfs/dbraw/zinc/04/91/14/177049114.db2.gz IJYBUTIKJXWVDA-SECBINFHSA-N 2 2 212.362 2.478 10 0 BEAELP C[C@H](c1cccs1)[N@@H+](C)C(C)(C)C[NH3+] ZINC000049726293 177049116 /nfs/dbraw/zinc/04/91/16/177049116.db2.gz IJYBUTIKJXWVDA-SECBINFHSA-N 2 2 212.362 2.478 10 0 BEAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1csc(C[NH3+])n1 ZINC000052373377 177101519 /nfs/dbraw/zinc/10/15/19/177101519.db2.gz AEEQRUVKWMIWGF-VHSXEESVSA-N 2 2 239.388 2.222 10 0 BEAELP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1csc(C[NH3+])n1 ZINC000052373377 177101520 /nfs/dbraw/zinc/10/15/20/177101520.db2.gz AEEQRUVKWMIWGF-VHSXEESVSA-N 2 2 239.388 2.222 10 0 BEAELP C[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000037910270 177112325 /nfs/dbraw/zinc/11/23/25/177112325.db2.gz FHPMANAUHCRLIN-GWCFXTLKSA-N 2 2 222.307 2.310 10 0 BEAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000037910270 177112326 /nfs/dbraw/zinc/11/23/26/177112326.db2.gz FHPMANAUHCRLIN-GWCFXTLKSA-N 2 2 222.307 2.310 10 0 BEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]CC1CC1 ZINC000037478530 177117055 /nfs/dbraw/zinc/11/70/55/177117055.db2.gz UFLBEKWBKDKIHU-TXEJJXNPSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]CC1CC1 ZINC000037478530 177117057 /nfs/dbraw/zinc/11/70/57/177117057.db2.gz UFLBEKWBKDKIHU-TXEJJXNPSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccccc2F)C1 ZINC000044372461 177169792 /nfs/dbraw/zinc/16/97/92/177169792.db2.gz ROEIWNGZCARBDZ-GWCFXTLKSA-N 2 2 222.307 2.167 10 0 BEAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2ccccc2F)C1 ZINC000044372461 177169794 /nfs/dbraw/zinc/16/97/94/177169794.db2.gz ROEIWNGZCARBDZ-GWCFXTLKSA-N 2 2 222.307 2.167 10 0 BEAELP C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)[C@@H](C[NH3+])C1 ZINC000235690069 177172334 /nfs/dbraw/zinc/17/23/34/177172334.db2.gz TXYVXAKFNXSJNV-WDEREUQCSA-N 2 2 244.342 2.127 10 0 BEAELP C[C@H]1C[NH2+]CCCN(c2ccc([NH+](C)C)cc2)C1 ZINC000049666423 177282112 /nfs/dbraw/zinc/28/21/12/177282112.db2.gz WMUVMDVHEWNJCB-ZDUSSCGKSA-N 2 2 247.386 2.188 10 0 BEAELP C[C@H]1C[NH2+]CCC[N@@H+](c2ccc(N(C)C)cc2)C1 ZINC000049666423 177282113 /nfs/dbraw/zinc/28/21/13/177282113.db2.gz WMUVMDVHEWNJCB-ZDUSSCGKSA-N 2 2 247.386 2.188 10 0 BEAELP C[C@H]1C[NH2+]CCC[N@H+](c2ccc(N(C)C)cc2)C1 ZINC000049666423 177282114 /nfs/dbraw/zinc/28/21/14/177282114.db2.gz WMUVMDVHEWNJCB-ZDUSSCGKSA-N 2 2 247.386 2.188 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(C[NH3+])n2)C1 ZINC000052420733 177314908 /nfs/dbraw/zinc/31/49/08/177314908.db2.gz CJMICXHDRQAMEA-AOOOYVTPSA-N 2 2 239.388 2.080 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(C[NH3+])n2)C1 ZINC000052420733 177314909 /nfs/dbraw/zinc/31/49/09/177314909.db2.gz CJMICXHDRQAMEA-AOOOYVTPSA-N 2 2 239.388 2.080 10 0 BEAELP C[C@H]1C[C@H](C)C[NH+]([C@@H](C[NH3+])c2cccnc2)C1 ZINC000019261415 177358902 /nfs/dbraw/zinc/35/89/02/177358902.db2.gz JPQSIQUAQMFLSO-OBJOEFQTSA-N 2 2 233.359 2.059 10 0 BEAELP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](CC)C2)CCO1 ZINC000251452938 487756272 /nfs/dbraw/zinc/75/62/72/487756272.db2.gz AEHOYXHSPUEKAT-MELADBBJSA-N 2 2 240.391 2.018 10 0 BEAELP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)CCO1 ZINC000251452938 487756274 /nfs/dbraw/zinc/75/62/74/487756274.db2.gz AEHOYXHSPUEKAT-MELADBBJSA-N 2 2 240.391 2.018 10 0 BEAELP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](CC)C2)CCO1 ZINC000251452934 487756295 /nfs/dbraw/zinc/75/62/95/487756295.db2.gz AEHOYXHSPUEKAT-HZSPNIEDSA-N 2 2 240.391 2.018 10 0 BEAELP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)CCO1 ZINC000251452934 487756298 /nfs/dbraw/zinc/75/62/98/487756298.db2.gz AEHOYXHSPUEKAT-HZSPNIEDSA-N 2 2 240.391 2.018 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@H+](CC1CC1)C(C)C ZINC000042593631 487761625 /nfs/dbraw/zinc/76/16/25/487761625.db2.gz BMVPESYALRXJTD-CYBMUJFWSA-N 2 2 212.381 2.480 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@@H+](CC1CC1)C(C)C ZINC000042593631 487761631 /nfs/dbraw/zinc/76/16/31/487761631.db2.gz BMVPESYALRXJTD-CYBMUJFWSA-N 2 2 212.381 2.480 10 0 BEAELP CC[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CC[C@H]1[NH3+] ZINC000251527979 487766286 /nfs/dbraw/zinc/76/62/86/487766286.db2.gz AFWNZTDBFYHYPX-WDEREUQCSA-N 2 2 244.342 2.127 10 0 BEAELP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000401795090 487832892 /nfs/dbraw/zinc/83/28/92/487832892.db2.gz YHIPBHHSVYZHFQ-OBJOEFQTSA-N 2 2 246.354 2.098 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382103932 487531687 /nfs/dbraw/zinc/53/16/87/487531687.db2.gz CIMUTOWEXFOKDX-ODXJTPSBSA-N 2 2 222.376 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382103932 487531692 /nfs/dbraw/zinc/53/16/92/487531692.db2.gz CIMUTOWEXFOKDX-ODXJTPSBSA-N 2 2 222.376 2.105 10 0 BEAELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1C1CC1 ZINC000310252925 488183733 /nfs/dbraw/zinc/18/37/33/488183733.db2.gz DXUBXKTZFPIPTI-XHDPSFHLSA-N 2 2 230.355 2.486 10 0 BEAELP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1C1CC1 ZINC000310252925 488183738 /nfs/dbraw/zinc/18/37/38/488183738.db2.gz DXUBXKTZFPIPTI-XHDPSFHLSA-N 2 2 230.355 2.486 10 0 BEAELP CC(C)(C)COc1cccc(C[NH2+]CC[NH3+])c1 ZINC000072226467 518671231 /nfs/dbraw/zinc/67/12/31/518671231.db2.gz LYMGJMNSYOFZSG-UHFFFAOYSA-N 2 2 236.359 2.160 10 0 BEAELP C[NH2+][C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533119 536418195 /nfs/dbraw/zinc/41/81/95/536418195.db2.gz XLVTXGHAYRSXDD-QWRGUYRKSA-N 2 2 232.318 2.106 10 0 BEAELP C[NH2+][C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533119 536418197 /nfs/dbraw/zinc/41/81/97/536418197.db2.gz XLVTXGHAYRSXDD-QWRGUYRKSA-N 2 2 232.318 2.106 10 0 BEAELP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533117 536375676 /nfs/dbraw/zinc/37/56/76/536375676.db2.gz XLVTXGHAYRSXDD-GHMZBOCLSA-N 2 2 232.318 2.106 10 0 BEAELP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533117 536375679 /nfs/dbraw/zinc/37/56/79/536375679.db2.gz XLVTXGHAYRSXDD-GHMZBOCLSA-N 2 2 232.318 2.106 10 0 BEAELP C[C@H](C1CC1)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757132340 582506816 /nfs/dbraw/zinc/50/68/16/582506816.db2.gz QYZFLWZPVYOHKN-IUODEOHRSA-N 2 2 234.387 2.345 10 0 BEAELP C[C@H](C1CC1)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757132340 582506817 /nfs/dbraw/zinc/50/68/17/582506817.db2.gz QYZFLWZPVYOHKN-IUODEOHRSA-N 2 2 234.387 2.345 10 0 BEAELP C[C@@H](C1CC1)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757132389 582506982 /nfs/dbraw/zinc/50/69/82/582506982.db2.gz QYZFLWZPVYOHKN-WFASDCNBSA-N 2 2 234.387 2.345 10 0 BEAELP C[C@@H](C1CC1)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757132389 582506983 /nfs/dbraw/zinc/50/69/83/582506983.db2.gz QYZFLWZPVYOHKN-WFASDCNBSA-N 2 2 234.387 2.345 10 0 BEAELP CC(=O)c1cccc([C@@H]2CC[C@@H]([NH3+])[C@@H](C)[NH2+]2)c1 ZINC000757218553 582562648 /nfs/dbraw/zinc/56/26/48/582562648.db2.gz WFASCCHLKQNSFA-FZQKWOKYSA-N 2 2 232.327 2.030 10 0 BEAELP Fc1cccc2c1CC[C@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000112344068 582819902 /nfs/dbraw/zinc/81/99/02/582819902.db2.gz KLMCPNBXXPXODL-CYBMUJFWSA-N 2 2 231.274 2.326 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396662730 583088004 /nfs/dbraw/zinc/08/80/04/583088004.db2.gz HJADJLLIWJBNFI-RNJOBUHISA-N 2 2 210.365 2.105 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396662730 583088007 /nfs/dbraw/zinc/08/80/07/583088007.db2.gz HJADJLLIWJBNFI-RNJOBUHISA-N 2 2 210.365 2.105 10 0 BEAELP CC(=O)c1ccc([C@@H]2[NH2+][C@H](C)CC[C@@H]2[NH3+])cc1 ZINC000757215930 586440518 /nfs/dbraw/zinc/44/05/18/586440518.db2.gz OCKHJBZSFFHYBN-IIMNLJJBSA-N 2 2 232.327 2.030 10 0 BEAELP [NH3+][C@H]1CCC[NH2+][C@@H]1c1cscc1C(F)F ZINC000757230005 586443147 /nfs/dbraw/zinc/44/31/47/586443147.db2.gz FTFHRDYORXMPER-DTWKUNHWSA-N 2 2 232.299 2.438 10 0 BEAELP [NH3+][C@H]1CC[C@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757238571 586444074 /nfs/dbraw/zinc/44/40/74/586444074.db2.gz STKGWHXSWJJGSY-IMTBSYHQSA-N 2 2 232.299 2.438 10 0 BEAELP C[N@H+](C[C@@H]1C[NH2+]CCO1)C1CCCCCCC1 ZINC000125460733 590165086 /nfs/dbraw/zinc/16/50/86/590165086.db2.gz QDECWVCJRPXTIM-AWEZNQCLSA-N 2 2 240.391 2.020 10 0 BEAELP C[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CCCCCCC1 ZINC000125460733 590165087 /nfs/dbraw/zinc/16/50/87/590165087.db2.gz QDECWVCJRPXTIM-AWEZNQCLSA-N 2 2 240.391 2.020 10 0 BEAELP C[C@@H](C[NH2+]CCc1ccccc1)[N@H+](C)C1CC1 ZINC000221112122 592397235 /nfs/dbraw/zinc/39/72/35/592397235.db2.gz PQXOIJULORHCMB-ZDUSSCGKSA-N 2 2 232.371 2.301 10 0 BEAELP C[C@@H](C[NH2+]CCc1ccccc1)[N@@H+](C)C1CC1 ZINC000221112122 592397239 /nfs/dbraw/zinc/39/72/39/592397239.db2.gz PQXOIJULORHCMB-ZDUSSCGKSA-N 2 2 232.371 2.301 10 0 BEAELP C[C@H]1C[N@H+](Cc2cncc3ccccc32)C[C@@H]1[NH3+] ZINC000235718586 632820551 /nfs/dbraw/zinc/82/05/51/632820551.db2.gz KUDYTMZWJFJCEJ-NHYWBVRUSA-N 2 2 241.338 2.014 10 0 BEAELP C[C@H]1C[N@@H+](Cc2cncc3ccccc32)C[C@@H]1[NH3+] ZINC000235718586 632820557 /nfs/dbraw/zinc/82/05/57/632820557.db2.gz KUDYTMZWJFJCEJ-NHYWBVRUSA-N 2 2 241.338 2.014 10 0 BEAELP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000053343466 634169744 /nfs/dbraw/zinc/16/97/44/634169744.db2.gz IBVQSDZFXLSRHA-RYUDHWBXSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000053343466 634169748 /nfs/dbraw/zinc/16/97/48/634169748.db2.gz IBVQSDZFXLSRHA-RYUDHWBXSA-N 2 2 210.365 2.249 10 0 BEAELP [NH3+]CC1CCC(Nc2cccc[nH+]2)CC1 ZINC000150013794 639233726 /nfs/dbraw/zinc/23/37/26/639233726.db2.gz HXKOHNKFHWGQFN-UHFFFAOYSA-N 2 2 205.305 2.011 10 0 BEAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccccc32)CC[N@@H+]1C ZINC000156584436 640468170 /nfs/dbraw/zinc/46/81/70/640468170.db2.gz MORVBRDGKFHSKX-MBNYWOFBSA-N 2 2 246.354 2.192 10 0 BEAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccccc32)CC[N@H+]1C ZINC000156584436 640468173 /nfs/dbraw/zinc/46/81/73/640468173.db2.gz MORVBRDGKFHSKX-MBNYWOFBSA-N 2 2 246.354 2.192 10 0 BEAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cncc2ccccc21 ZINC000165085020 640533447 /nfs/dbraw/zinc/53/34/47/640533447.db2.gz LYNLNQYPGMPRGX-AWEZNQCLSA-N 2 2 241.338 2.158 10 0 BEAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cncc2ccccc21 ZINC000165085020 640533448 /nfs/dbraw/zinc/53/34/48/640533448.db2.gz LYNLNQYPGMPRGX-AWEZNQCLSA-N 2 2 241.338 2.158 10 0 BEAELP CC(C)[C@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709698017 712215979 /nfs/dbraw/zinc/21/59/79/712215979.db2.gz VMQRLIAPZTYLTQ-VIFPVBQESA-N 2 2 239.388 2.004 10 0 BEAELP CC(C)[C@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709698017 712215980 /nfs/dbraw/zinc/21/59/80/712215980.db2.gz VMQRLIAPZTYLTQ-VIFPVBQESA-N 2 2 239.388 2.004 10 0 BEAELP CSC1CC([NH2+][C@H](CC(C)C)C[NH+](C)C)C1 ZINC000706740464 712153493 /nfs/dbraw/zinc/15/34/93/712153493.db2.gz CLQMWTCZJBUOLO-OTTFEQOBSA-N 2 2 244.448 2.446 10 0 BEAELP [NH3+][C@H]1C[C@@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000715084717 712507636 /nfs/dbraw/zinc/50/76/36/712507636.db2.gz APDBJBQKNCIWGL-OTSSQURYSA-N 2 2 245.248 2.250 10 0 BEAELP Cc1cc(C[NH2+]CC[NH+]2CCCC2)cc(C)c1O ZINC000020305667 178020541 /nfs/dbraw/zinc/02/05/41/178020541.db2.gz FQVDTNPXZGUMGS-UHFFFAOYSA-N 2 2 248.370 2.194 10 0 BEAELP C[C@H](c1ccsc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000307570167 398176092 /nfs/dbraw/zinc/17/60/92/398176092.db2.gz YYQGSGGXIDHRDJ-WCABBAIRSA-N 2 2 210.346 2.231 10 0 BEAELP C[C@H](c1ccsc1)[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000307570167 398176095 /nfs/dbraw/zinc/17/60/95/398176095.db2.gz YYQGSGGXIDHRDJ-WCABBAIRSA-N 2 2 210.346 2.231 10 0 BEAELP Cc1cc([NH+](C)C)ccc1NC1CC[NH2+]CC1 ZINC000038040929 178095116 /nfs/dbraw/zinc/09/51/16/178095116.db2.gz AJNWKRYVCWKJLV-UHFFFAOYSA-N 2 2 233.359 2.225 10 0 BEAELP Cc1cc([NH3+])ccc1NCC[NH+]1CCCC1 ZINC000054112196 178104897 /nfs/dbraw/zinc/10/48/97/178104897.db2.gz ABGUQFWGDVWJEN-UHFFFAOYSA-N 2 2 219.332 2.085 10 0 BEAELP Cc1cc([NH3+])ccc1N[C@H]1CCC[N@@H+](C)C1 ZINC000040715753 178107207 /nfs/dbraw/zinc/10/72/07/178107207.db2.gz ATOGJYHWTNXAAA-LBPRGKRZSA-N 2 2 219.332 2.083 10 0 BEAELP Cc1cc([NH3+])ccc1N[C@H]1CCC[N@H+](C)C1 ZINC000040715753 178107209 /nfs/dbraw/zinc/10/72/09/178107209.db2.gz ATOGJYHWTNXAAA-LBPRGKRZSA-N 2 2 219.332 2.083 10 0 BEAELP Cc1cc([NH3+])ccc1N[C@@H](C)C[NH+]1CCCC1 ZINC000042598597 178107223 /nfs/dbraw/zinc/10/72/23/178107223.db2.gz GPYCTQCBCVECBZ-LBPRGKRZSA-N 2 2 233.359 2.473 10 0 BEAELP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381590590 398265457 /nfs/dbraw/zinc/26/54/57/398265457.db2.gz LITLLXCFUNTQPF-GHMZBOCLSA-N 2 2 232.318 2.235 10 0 BEAELP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381590590 398265459 /nfs/dbraw/zinc/26/54/59/398265459.db2.gz LITLLXCFUNTQPF-GHMZBOCLSA-N 2 2 232.318 2.235 10 0 BEAELP C[N@H+](C[C@H]1CCCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000381689950 398269632 /nfs/dbraw/zinc/26/96/32/398269632.db2.gz NIWPMTUNWILPLW-GHMZBOCLSA-N 2 2 232.318 2.106 10 0 BEAELP C[N@@H+](C[C@H]1CCCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000381689950 398269636 /nfs/dbraw/zinc/26/96/36/398269636.db2.gz NIWPMTUNWILPLW-GHMZBOCLSA-N 2 2 232.318 2.106 10 0 BEAELP CCC(CC)[NH2+]C[C@H](C)[NH+]1CCC(OC)CC1 ZINC000053490619 168388480 /nfs/dbraw/zinc/38/84/80/168388480.db2.gz TWDRXVSDNYNZBL-LBPRGKRZSA-N 2 2 242.407 2.264 10 0 BEAELP CCC(CC)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000308905639 168391361 /nfs/dbraw/zinc/39/13/61/168391361.db2.gz CKPMHOVWQJNDKM-SNVBAGLBSA-N 2 2 207.321 2.045 10 0 BEAELP CCC(CC)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000308905639 168391364 /nfs/dbraw/zinc/39/13/64/168391364.db2.gz CKPMHOVWQJNDKM-SNVBAGLBSA-N 2 2 207.321 2.045 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040671835 538972318 /nfs/dbraw/zinc/97/23/18/538972318.db2.gz HGSLDUOYXCJEAV-GXTWGEPZSA-N 2 2 218.344 2.431 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040671835 538972319 /nfs/dbraw/zinc/97/23/19/538972319.db2.gz HGSLDUOYXCJEAV-GXTWGEPZSA-N 2 2 218.344 2.431 10 0 BEAELP C[NH2+]C1(C)CC[NH+](C/C(C)=C\Cl)CC1 ZINC000308474252 342829877 /nfs/dbraw/zinc/82/98/77/342829877.db2.gz RLFNAUAOSXPKRP-NTMALXAHSA-N 2 2 216.756 2.203 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000380010951 538983562 /nfs/dbraw/zinc/98/35/62/538983562.db2.gz RNXLISUALQCPFM-NDBYEHHHSA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000380010951 538983564 /nfs/dbraw/zinc/98/35/64/538983564.db2.gz RNXLISUALQCPFM-NDBYEHHHSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+](CC[NH3+])C[C@H]1CCCCC1(F)F ZINC000382053280 398303038 /nfs/dbraw/zinc/30/30/38/398303038.db2.gz NKJFBOQOBKHIHM-SNVBAGLBSA-N 2 2 220.307 2.093 10 0 BEAELP CC[N@@H+](CC[NH3+])C[C@H]1CCCCC1(F)F ZINC000382053280 398303040 /nfs/dbraw/zinc/30/30/40/398303040.db2.gz NKJFBOQOBKHIHM-SNVBAGLBSA-N 2 2 220.307 2.093 10 0 BEAELP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000134844373 342901173 /nfs/dbraw/zinc/90/11/73/342901173.db2.gz YGQYWGSFXQSUSW-MCIONIFRSA-N 2 2 224.392 2.497 10 0 BEAELP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000134844373 342901174 /nfs/dbraw/zinc/90/11/74/342901174.db2.gz YGQYWGSFXQSUSW-MCIONIFRSA-N 2 2 224.392 2.497 10 0 BEAELP CC[C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037166983 342923349 /nfs/dbraw/zinc/92/33/49/342923349.db2.gz SKBSNWBPKVXLIG-VXGBXAGGSA-N 2 2 200.370 2.351 10 0 BEAELP C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000042975096 398331593 /nfs/dbraw/zinc/33/15/93/398331593.db2.gz UXYJAUSHLNYSMD-KCJUWKMLSA-N 2 2 212.724 2.290 10 0 BEAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+]1CCC[C@@H]1C ZINC000037910417 187261294 /nfs/dbraw/zinc/26/12/94/187261294.db2.gz OCBORYJSWFYGAH-GXTWGEPZSA-N 2 2 218.344 2.479 10 0 BEAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+]1CCC[C@@H]1C ZINC000037910417 187261296 /nfs/dbraw/zinc/26/12/96/187261296.db2.gz OCBORYJSWFYGAH-GXTWGEPZSA-N 2 2 218.344 2.479 10 0 BEAELP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000377995837 136333438 /nfs/dbraw/zinc/33/34/38/136333438.db2.gz HDQIZQROLAKRCV-ZYHUDNBSSA-N 2 2 219.332 2.149 10 0 BEAELP CC(C)[N@@H+]1CCC[C@@H](c2c[nH]c[nH+]2)CC1 ZINC000616600405 344444240 /nfs/dbraw/zinc/44/42/40/344444240.db2.gz DSKKHLIFGXGJRE-LLVKDONJSA-N 2 2 207.321 2.388 10 0 BEAELP CC(C)[N@H+]1CCC[C@@H](c2c[nH]c[nH+]2)CC1 ZINC000616600405 344444242 /nfs/dbraw/zinc/44/42/42/344444242.db2.gz DSKKHLIFGXGJRE-LLVKDONJSA-N 2 2 207.321 2.388 10 0 BEAELP C(C[NH+]1CCCCC1)[NH2+]CC1CCCC1 ZINC000049575111 187294192 /nfs/dbraw/zinc/29/41/92/187294192.db2.gz SELMKUHOWWUIJM-UHFFFAOYSA-N 2 2 210.365 2.252 10 0 BEAELP C[C@@H](c1nccs1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000248081535 345032845 /nfs/dbraw/zinc/03/28/45/345032845.db2.gz PRAXBTLRTGCXAK-QWRGUYRKSA-N 2 2 239.388 2.136 10 0 BEAELP C[C@@H](c1nccs1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000248081535 345032849 /nfs/dbraw/zinc/03/28/49/345032849.db2.gz PRAXBTLRTGCXAK-QWRGUYRKSA-N 2 2 239.388 2.136 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000044469094 345084938 /nfs/dbraw/zinc/08/49/38/345084938.db2.gz AHOCQBHKYVGQMC-HNNXBMFYSA-N 2 2 242.322 2.224 10 0 BEAELP Cc1ccc(F)c([C@H]2C[C@H]([NH3+])CC[N@H+]2C)c1 ZINC000675054094 537891147 /nfs/dbraw/zinc/89/11/47/537891147.db2.gz LPOZPQDTMCCVBX-ZWNOBZJWSA-N 2 2 222.307 2.228 10 0 BEAELP Cc1ccc(F)c([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000675054094 537891153 /nfs/dbraw/zinc/89/11/53/537891153.db2.gz LPOZPQDTMCCVBX-ZWNOBZJWSA-N 2 2 222.307 2.228 10 0 BEAELP CC[NH2+]CCC[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000034485835 345835815 /nfs/dbraw/zinc/83/58/15/345835815.db2.gz HUGHQQHVZCGHLT-UHFFFAOYSA-N 2 2 248.370 2.053 10 0 BEAELP CC[NH2+]CCC[N@H+]1CCc2cc(OC)ccc2C1 ZINC000034485835 345835817 /nfs/dbraw/zinc/83/58/17/345835817.db2.gz HUGHQQHVZCGHLT-UHFFFAOYSA-N 2 2 248.370 2.053 10 0 BEAELP C([C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+]1CCCCC1 ZINC000020073678 187315107 /nfs/dbraw/zinc/31/51/07/187315107.db2.gz YLWCWEKJRCGIJE-MJBXVCDLSA-N 2 2 222.376 2.393 10 0 BEAELP C[C@H](c1ccccc1)[N@@H+]1C[C@H]([NH3+])C2(CC2)C1 ZINC000038768145 347163878 /nfs/dbraw/zinc/16/38/78/347163878.db2.gz LQXLEBQQOBROTO-YPMHNXCESA-N 2 2 216.328 2.171 10 0 BEAELP C[C@H](c1ccccc1)[N@H+]1C[C@H]([NH3+])C2(CC2)C1 ZINC000038768145 347163881 /nfs/dbraw/zinc/16/38/81/347163881.db2.gz LQXLEBQQOBROTO-YPMHNXCESA-N 2 2 216.328 2.171 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[NH+]2CCCC2)c1C ZINC000043314380 179185132 /nfs/dbraw/zinc/18/51/32/179185132.db2.gz WTEAFYNKRAVLNK-CQSZACIVSA-N 2 2 218.344 2.399 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)CC2CC2)c1 ZINC000020225518 179199359 /nfs/dbraw/zinc/19/93/59/179199359.db2.gz VXOPYDHBTBNISH-AWEZNQCLSA-N 2 2 218.344 2.337 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000020225518 179199361 /nfs/dbraw/zinc/19/93/61/179199361.db2.gz VXOPYDHBTBNISH-AWEZNQCLSA-N 2 2 218.344 2.337 10 0 BEAELP Cc1cccc2c([C@H](C[NH3+])[NH+](C)C)c[nH]c21 ZINC000082596844 179211761 /nfs/dbraw/zinc/21/17/61/179211761.db2.gz CEUIXMIYVWQYKE-LBPRGKRZSA-N 2 2 217.316 2.038 10 0 BEAELP Cc1cccc2oc([C@H]([NH3+])Cc3c[nH+]c[nH]3)nc21 ZINC000038052748 179233454 /nfs/dbraw/zinc/23/34/54/179233454.db2.gz PMZQHSMKHLYOND-SNVBAGLBSA-N 2 2 242.282 2.102 10 0 BEAELP Cc1ccccc1C[N@@H+](C)CC[NH2+]C(C)C ZINC000042307396 179269867 /nfs/dbraw/zinc/26/98/67/179269867.db2.gz RYWZRGFWHLQTRJ-UHFFFAOYSA-N 2 2 220.360 2.425 10 0 BEAELP Cc1ccccc1C[N@H+](C)CC[NH2+]C(C)C ZINC000042307396 179269869 /nfs/dbraw/zinc/26/98/69/179269869.db2.gz RYWZRGFWHLQTRJ-UHFFFAOYSA-N 2 2 220.360 2.425 10 0 BEAELP CC[C@@H](C)[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 ZINC000616578438 349124359 /nfs/dbraw/zinc/12/43/59/349124359.db2.gz OIBAFDPABFARDA-PWSUYJOCSA-N 2 2 208.349 2.001 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250315588 349169468 /nfs/dbraw/zinc/16/94/68/349169468.db2.gz MJZWVFDKYJOWKA-XJFOESAGSA-N 2 2 240.391 2.016 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250315588 349169470 /nfs/dbraw/zinc/16/94/70/349169470.db2.gz MJZWVFDKYJOWKA-XJFOESAGSA-N 2 2 240.391 2.016 10 0 BEAELP CC(C)([NH3+])COc1cc[nH+]c2ccccc21 ZINC000070838135 350067597 /nfs/dbraw/zinc/06/75/97/350067597.db2.gz PRPTTWJCOFQKIW-UHFFFAOYSA-N 2 2 216.284 2.351 10 0 BEAELP Cc1[nH+]c2ccccc2n1[C@@H](C)[C@H](C)[NH3+] ZINC000041053916 180103745 /nfs/dbraw/zinc/10/37/45/180103745.db2.gz VDNQPTKYTAJBDP-IUCAKERBSA-N 2 2 203.289 2.253 10 0 BEAELP CC(C)[N@@H+]1CCC[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616603603 350790116 /nfs/dbraw/zinc/79/01/16/350790116.db2.gz ZIZBAWYBBNIJRK-LBPRGKRZSA-N 2 2 233.359 2.472 10 0 BEAELP CC(C)[N@H+]1CCC[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616603603 350790118 /nfs/dbraw/zinc/79/01/18/350790118.db2.gz ZIZBAWYBBNIJRK-LBPRGKRZSA-N 2 2 233.359 2.472 10 0 BEAELP CC[N@@H+]1CCC[C@H](c2cccc(N)[nH+]2)CC1 ZINC000616602001 350790878 /nfs/dbraw/zinc/79/08/78/350790878.db2.gz PLQRFSBTIQVONE-NSHDSACASA-N 2 2 219.332 2.253 10 0 BEAELP CC[N@H+]1CCC[C@H](c2cccc(N)[nH+]2)CC1 ZINC000616602001 350790879 /nfs/dbraw/zinc/79/08/79/350790879.db2.gz PLQRFSBTIQVONE-NSHDSACASA-N 2 2 219.332 2.253 10 0 BEAELP CC(C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)CC1 ZINC000616602009 350790922 /nfs/dbraw/zinc/79/09/22/350790922.db2.gz PPYHUCIIQKFOQG-LBPRGKRZSA-N 2 2 207.321 2.319 10 0 BEAELP CC(C)[N@H+]1CCC[C@H](n2cc[nH+]c2)CC1 ZINC000616602009 350790923 /nfs/dbraw/zinc/79/09/23/350790923.db2.gz PPYHUCIIQKFOQG-LBPRGKRZSA-N 2 2 207.321 2.319 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccc2cnccc2c1 ZINC000616608339 350804511 /nfs/dbraw/zinc/80/45/11/350804511.db2.gz QNIJBTVGMXWHEC-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccc2cnccc2c1 ZINC000616608339 350804512 /nfs/dbraw/zinc/80/45/12/350804512.db2.gz QNIJBTVGMXWHEC-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccc2ccncc2c1 ZINC000616608287 350804527 /nfs/dbraw/zinc/80/45/27/350804527.db2.gz RDMOYYRAFBWPNI-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H]1c1ccc2ccncc2c1 ZINC000616608287 350804529 /nfs/dbraw/zinc/80/45/29/350804529.db2.gz RDMOYYRAFBWPNI-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccc2ncccc2c1 ZINC000616608362 350804551 /nfs/dbraw/zinc/80/45/51/350804551.db2.gz REVVAOMOOAPYOL-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccc2ncccc2c1 ZINC000616608362 350804554 /nfs/dbraw/zinc/80/45/54/350804554.db2.gz REVVAOMOOAPYOL-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP CC[C@@H](C[NH2+]C)[N@H+](C)Cc1ccccc1 ZINC000052417399 350992071 /nfs/dbraw/zinc/99/20/71/350992071.db2.gz INFBCDDQNQEQFL-ZDUSSCGKSA-N 2 2 206.333 2.116 10 0 BEAELP CC[C@@H](C[NH2+]C)[N@@H+](C)Cc1ccccc1 ZINC000052417399 350992073 /nfs/dbraw/zinc/99/20/73/350992073.db2.gz INFBCDDQNQEQFL-ZDUSSCGKSA-N 2 2 206.333 2.116 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000616627296 351108073 /nfs/dbraw/zinc/10/80/73/351108073.db2.gz HEIQHFLIIDXIQV-GFCCVEGCSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000616627296 351108078 /nfs/dbraw/zinc/10/80/78/351108078.db2.gz HEIQHFLIIDXIQV-GFCCVEGCSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1nccc2ccccc21 ZINC000616633564 351115232 /nfs/dbraw/zinc/11/52/32/351115232.db2.gz MJCWTLJAKOFTAE-AWEZNQCLSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H]1c1nccc2ccccc21 ZINC000616633564 351115234 /nfs/dbraw/zinc/11/52/34/351115234.db2.gz MJCWTLJAKOFTAE-AWEZNQCLSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1cccc2ccncc21 ZINC000616634585 351117818 /nfs/dbraw/zinc/11/78/18/351117818.db2.gz USYWXQVUFMVJQY-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H]1c1cccc2ccncc21 ZINC000616634585 351117820 /nfs/dbraw/zinc/11/78/20/351117820.db2.gz USYWXQVUFMVJQY-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP CC[C@@H]1C[N@H+](C/C(C)=C/Cl)CCC[NH2+]1 ZINC000232014395 351528531 /nfs/dbraw/zinc/52/85/31/351528531.db2.gz WKZPJBXXRPRCBH-PFEDMVJOSA-N 2 2 216.756 2.203 10 0 BEAELP CC[C@@H]1C[N@@H+](C/C(C)=C/Cl)CCC[NH2+]1 ZINC000232014395 351528536 /nfs/dbraw/zinc/52/85/36/351528536.db2.gz WKZPJBXXRPRCBH-PFEDMVJOSA-N 2 2 216.756 2.203 10 0 BEAELP CC[C@@H](C)C[NH2+]CC1CC(n2cc[nH+]c2)C1 ZINC000725268802 538101231 /nfs/dbraw/zinc/10/12/31/538101231.db2.gz BEMZFCULGRMOIN-PNESKVBLSA-N 2 2 221.348 2.470 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638407655 352213295 /nfs/dbraw/zinc/21/32/95/352213295.db2.gz CLKPUNVCQBXQOK-CRWXNKLISA-N 2 2 222.376 2.106 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638407655 352213297 /nfs/dbraw/zinc/21/32/97/352213297.db2.gz CLKPUNVCQBXQOK-CRWXNKLISA-N 2 2 222.376 2.106 10 0 BEAELP Cc1c(N)c[nH+]cc1C1=CC[C@@](C)([NH3+])CC1 ZINC000725272836 538104681 /nfs/dbraw/zinc/10/46/81/538104681.db2.gz SLIIAGYWTREKHN-CYBMUJFWSA-N 2 2 217.316 2.257 10 0 BEAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000231359803 538106021 /nfs/dbraw/zinc/10/60/21/538106021.db2.gz GUIJFNHRAFCODD-BXUZGUMPSA-N 2 2 246.354 2.063 10 0 BEAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000231359803 538106022 /nfs/dbraw/zinc/10/60/22/538106022.db2.gz GUIJFNHRAFCODD-BXUZGUMPSA-N 2 2 246.354 2.063 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]CCCC(C)C)C1 ZINC000336761610 353174200 /nfs/dbraw/zinc/17/42/00/353174200.db2.gz MTTKROQEMWVFGG-ZDUSSCGKSA-N 2 2 212.381 2.497 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]CCCC(C)C)C1 ZINC000336761610 353174202 /nfs/dbraw/zinc/17/42/02/353174202.db2.gz MTTKROQEMWVFGG-ZDUSSCGKSA-N 2 2 212.381 2.497 10 0 BEAELP CC(C)(C)[C@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000041051508 188292988 /nfs/dbraw/zinc/29/29/88/188292988.db2.gz QVFBUECCEGRVNA-LBPRGKRZSA-N 2 2 238.400 2.480 10 0 BEAELP CC(C)(C)[C@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000041051508 188292989 /nfs/dbraw/zinc/29/29/89/188292989.db2.gz QVFBUECCEGRVNA-LBPRGKRZSA-N 2 2 238.400 2.480 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000039141103 358486274 /nfs/dbraw/zinc/48/62/74/358486274.db2.gz OAFPENVDHGXWAW-AWEZNQCLSA-N 2 2 220.360 2.492 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000039141103 358486278 /nfs/dbraw/zinc/48/62/78/358486278.db2.gz OAFPENVDHGXWAW-AWEZNQCLSA-N 2 2 220.360 2.492 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000389180670 355763696 /nfs/dbraw/zinc/76/36/96/355763696.db2.gz QHVWLFVHRUBEMP-STQMWFEESA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000389180670 355763700 /nfs/dbraw/zinc/76/37/00/355763700.db2.gz QHVWLFVHRUBEMP-STQMWFEESA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC000389192280 355835158 /nfs/dbraw/zinc/83/51/58/355835158.db2.gz VRAOCRDOBBSDLD-AWEZNQCLSA-N 2 2 236.334 2.318 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC000389192280 355835161 /nfs/dbraw/zinc/83/51/61/355835161.db2.gz VRAOCRDOBBSDLD-AWEZNQCLSA-N 2 2 236.334 2.318 10 0 BEAELP CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389194671 355835484 /nfs/dbraw/zinc/83/54/84/355835484.db2.gz WRWGZKXXSMNWKH-AWEZNQCLSA-N 2 2 248.370 2.269 10 0 BEAELP CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389194671 355835489 /nfs/dbraw/zinc/83/54/89/355835489.db2.gz WRWGZKXXSMNWKH-AWEZNQCLSA-N 2 2 248.370 2.269 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000389253312 355936764 /nfs/dbraw/zinc/93/67/64/355936764.db2.gz NBMJIGSRIKSJBC-CQSZACIVSA-N 2 2 248.370 2.193 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000389253312 355936769 /nfs/dbraw/zinc/93/67/69/355936769.db2.gz NBMJIGSRIKSJBC-CQSZACIVSA-N 2 2 248.370 2.193 10 0 BEAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000257588510 538737937 /nfs/dbraw/zinc/73/79/37/538737937.db2.gz YDXVZAXBJZIPGH-NEPJUHHUSA-N 2 2 224.735 2.434 10 0 BEAELP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000257588510 538737943 /nfs/dbraw/zinc/73/79/43/538737943.db2.gz YDXVZAXBJZIPGH-NEPJUHHUSA-N 2 2 224.735 2.434 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000389572807 356993825 /nfs/dbraw/zinc/99/38/25/356993825.db2.gz WPEMYAXMFBCYQC-OTTFEQOBSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000389572807 356993828 /nfs/dbraw/zinc/99/38/28/356993828.db2.gz WPEMYAXMFBCYQC-OTTFEQOBSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000389557921 538822019 /nfs/dbraw/zinc/82/20/19/538822019.db2.gz SKBYOKAGSLRSTF-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000389557921 538822025 /nfs/dbraw/zinc/82/20/25/538822025.db2.gz SKBYOKAGSLRSTF-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP CCCC[C@H](COC)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000133045431 358744253 /nfs/dbraw/zinc/74/42/53/358744253.db2.gz FLQZQMOMWWMZQC-ZIAGYGMSSA-N 2 2 242.407 2.266 10 0 BEAELP CCCC[C@H](COC)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000133045431 358744254 /nfs/dbraw/zinc/74/42/54/358744254.db2.gz FLQZQMOMWWMZQC-ZIAGYGMSSA-N 2 2 242.407 2.266 10 0 BEAELP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)[C@@H]1C ZINC000134739601 358804030 /nfs/dbraw/zinc/80/40/30/358804030.db2.gz QODVNPOHHQVYKJ-MQYQWHSLSA-N 2 2 224.392 2.495 10 0 BEAELP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)[C@@H]1C ZINC000134739601 358804034 /nfs/dbraw/zinc/80/40/34/358804034.db2.gz QODVNPOHHQVYKJ-MQYQWHSLSA-N 2 2 224.392 2.495 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1cccc(O)c1 ZINC000396637433 358942518 /nfs/dbraw/zinc/94/25/18/358942518.db2.gz AKIAJWFKZSFLDV-COPLHBTASA-N 2 2 234.343 2.183 10 0 BEAELP CC[NH+]1CCC(Nc2c[nH+]ccc2C)CC1 ZINC000070957683 359067814 /nfs/dbraw/zinc/06/78/14/359067814.db2.gz XFNDUNHYVVOQSC-UHFFFAOYSA-N 2 2 219.332 2.286 10 0 BEAELP COCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246507792 359138524 /nfs/dbraw/zinc/13/85/24/359138524.db2.gz TUNWCQQCAMBLFJ-MELADBBJSA-N 2 2 242.407 2.120 10 0 BEAELP COCCC[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246507792 359138526 /nfs/dbraw/zinc/13/85/26/359138526.db2.gz TUNWCQQCAMBLFJ-MELADBBJSA-N 2 2 242.407 2.120 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1csc(C)c1 ZINC000306221335 359346077 /nfs/dbraw/zinc/34/60/77/359346077.db2.gz JKFHHVGGLYFXIV-QWRGUYRKSA-N 2 2 210.346 2.151 10 0 BEAELP CC[N@H+]1CC[C@H]([NH3+])[C@@H]1c1csc(C)c1 ZINC000306221335 359346080 /nfs/dbraw/zinc/34/60/80/359346080.db2.gz JKFHHVGGLYFXIV-QWRGUYRKSA-N 2 2 210.346 2.151 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309035660 491142972 /nfs/dbraw/zinc/14/29/72/491142972.db2.gz HXXQQPXGOAOECU-CMPLNLGQSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309035660 491142973 /nfs/dbraw/zinc/14/29/73/491142973.db2.gz HXXQQPXGOAOECU-CMPLNLGQSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000309044803 491143303 /nfs/dbraw/zinc/14/33/03/491143303.db2.gz NTFHGRDLZUIELD-GMXVVIOVSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000309044803 491143304 /nfs/dbraw/zinc/14/33/04/491143304.db2.gz NTFHGRDLZUIELD-GMXVVIOVSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000309440420 491148373 /nfs/dbraw/zinc/14/83/73/491148373.db2.gz IIDFVMYKBQJBBO-MJBXVCDLSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000309440420 491148374 /nfs/dbraw/zinc/14/83/74/491148374.db2.gz IIDFVMYKBQJBBO-MJBXVCDLSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccsc2)C1 ZINC000328145140 364811946 /nfs/dbraw/zinc/81/19/46/364811946.db2.gz AGKNNKXHZRLTCV-YPMHNXCESA-N 2 2 238.400 2.363 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccsc2)C1 ZINC000328145140 364811952 /nfs/dbraw/zinc/81/19/52/364811952.db2.gz AGKNNKXHZRLTCV-YPMHNXCESA-N 2 2 238.400 2.363 10 0 BEAELP Cc1ccc(NC(=O)C2CCC([NH3+])CC2)c(C)[nH+]1 ZINC000094666072 541451634 /nfs/dbraw/zinc/45/16/34/541451634.db2.gz XMWBYGFGNRQYED-UHFFFAOYSA-N 2 2 247.342 2.154 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000576173406 365510085 /nfs/dbraw/zinc/51/00/85/365510085.db2.gz OXLMXPRGCMSYKV-NWDGAFQWSA-N 2 2 208.349 2.003 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000576173406 365510089 /nfs/dbraw/zinc/51/00/89/365510089.db2.gz OXLMXPRGCMSYKV-NWDGAFQWSA-N 2 2 208.349 2.003 10 0 BEAELP C(=C/c1ccccc1)\C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000038339873 368272010 /nfs/dbraw/zinc/27/20/10/368272010.db2.gz LGWAFBWTSXBLIZ-QPJJXVBHSA-N 2 2 242.366 2.480 10 0 BEAELP C(=C/c1ccccc1)\C[N@H+]1CC[NH+]2CCC1CC2 ZINC000038339873 368272017 /nfs/dbraw/zinc/27/20/17/368272017.db2.gz LGWAFBWTSXBLIZ-QPJJXVBHSA-N 2 2 242.366 2.480 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000623870785 371134438 /nfs/dbraw/zinc/13/44/38/371134438.db2.gz MUGLNCRXRODEAN-IHRRRGAJSA-N 2 2 240.391 2.018 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000623870785 371134444 /nfs/dbraw/zinc/13/44/44/371134444.db2.gz MUGLNCRXRODEAN-IHRRRGAJSA-N 2 2 240.391 2.018 10 0 BEAELP Cc1cc2[nH+]cn(CC[NH+](C)C)c2cc1C ZINC000008410181 372703023 /nfs/dbraw/zinc/70/30/23/372703023.db2.gz GRNIGLMBIMWMLW-UHFFFAOYSA-N 2 2 217.316 2.215 10 0 BEAELP CCC[N@H+](C)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000020225826 169086094 /nfs/dbraw/zinc/08/60/94/169086094.db2.gz LAKNMAPIRXSXKS-ZDUSSCGKSA-N 2 2 222.332 2.037 10 0 BEAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000020225826 169086097 /nfs/dbraw/zinc/08/60/97/169086097.db2.gz LAKNMAPIRXSXKS-ZDUSSCGKSA-N 2 2 222.332 2.037 10 0 BEAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccccc1OC ZINC000020225776 169086283 /nfs/dbraw/zinc/08/62/83/169086283.db2.gz INCSWTVDXOQLSH-LBPRGKRZSA-N 2 2 222.332 2.037 10 0 BEAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1ccccc1OC ZINC000020225776 169086285 /nfs/dbraw/zinc/08/62/85/169086285.db2.gz INCSWTVDXOQLSH-LBPRGKRZSA-N 2 2 222.332 2.037 10 0 BEAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596567 169087307 /nfs/dbraw/zinc/08/73/07/169087307.db2.gz ZKPWHNPUMUPDCA-CYBMUJFWSA-N 2 2 236.359 2.345 10 0 BEAELP CCC[N@@H+](C)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596567 169087310 /nfs/dbraw/zinc/08/73/10/169087310.db2.gz ZKPWHNPUMUPDCA-CYBMUJFWSA-N 2 2 236.359 2.345 10 0 BEAELP CCC[N@H+]([C@@H](C)c1ccccn1)[C@@H]1CC[NH2+]C1 ZINC000071314726 169181231 /nfs/dbraw/zinc/18/12/31/169181231.db2.gz MOUBBMFSUXVUEH-QWHCGFSZSA-N 2 2 233.359 2.217 10 0 BEAELP CCC[N@@H+]([C@@H](C)c1ccccn1)[C@@H]1CC[NH2+]C1 ZINC000071314726 169181233 /nfs/dbraw/zinc/18/12/33/169181233.db2.gz MOUBBMFSUXVUEH-QWHCGFSZSA-N 2 2 233.359 2.217 10 0 BEAELP CCC[NH2+]CCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043427169 169256604 /nfs/dbraw/zinc/25/66/04/169256604.db2.gz DDXNVJZYCOCBKI-KBPBESRZSA-N 2 2 240.391 2.020 10 0 BEAELP CCC[NH2+]CCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043427169 169256607 /nfs/dbraw/zinc/25/66/07/169256607.db2.gz DDXNVJZYCOCBKI-KBPBESRZSA-N 2 2 240.391 2.020 10 0 BEAELP c1[nH+]cn(C2CC[NH2+]CC2)c1-c1ccccc1 ZINC000082656524 183380817 /nfs/dbraw/zinc/38/08/17/183380817.db2.gz ZLHWUYZUPDDRME-UHFFFAOYSA-N 2 2 227.311 2.475 10 0 BEAELP c1cn(-c2ccccc2NC2CC[NH2+]CC2)c[nH+]1 ZINC000038040892 183385845 /nfs/dbraw/zinc/38/58/45/183385845.db2.gz KHYOPCXCYFBIRG-UHFFFAOYSA-N 2 2 242.326 2.036 10 0 BEAELP c1cn2c(cccc2SC2CC[NH2+]CC2)[nH+]1 ZINC000089201255 183360073 /nfs/dbraw/zinc/36/00/73/183360073.db2.gz WLQTXPVWTUMOGE-UHFFFAOYSA-N 2 2 233.340 2.178 10 0 BEAELP c1cn(CCC[NH2+]CCc2ccccc2)c[nH+]1 ZINC000010314162 183393443 /nfs/dbraw/zinc/39/34/43/183393443.db2.gz BDSAVZONHFEKKT-UHFFFAOYSA-N 2 2 229.327 2.106 10 0 BEAELP CCC[NH2+]Cc1cccc(-n2c[nH+]c(C)c2C)n1 ZINC000051928477 169268360 /nfs/dbraw/zinc/26/83/60/169268360.db2.gz AYYBBYUMKOVVGT-UHFFFAOYSA-N 2 2 244.342 2.384 10 0 BEAELP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1CCOCC ZINC000111712148 169276095 /nfs/dbraw/zinc/27/60/95/169276095.db2.gz IUXINOUYLROXQS-KBPBESRZSA-N 2 2 242.407 2.266 10 0 BEAELP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1CCOCC ZINC000111712148 169276096 /nfs/dbraw/zinc/27/60/96/169276096.db2.gz IUXINOUYLROXQS-KBPBESRZSA-N 2 2 242.407 2.266 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)[C@H](C)C1 ZINC000049712263 169282771 /nfs/dbraw/zinc/28/27/71/169282771.db2.gz WAHXDYWFYRURCX-ZIAGYGMSSA-N 2 2 247.386 2.434 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)[C@H](C)C1 ZINC000049712263 169282773 /nfs/dbraw/zinc/28/27/73/169282773.db2.gz WAHXDYWFYRURCX-ZIAGYGMSSA-N 2 2 247.386 2.434 10 0 BEAELP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)Cc2ccco2)C1 ZINC000042590220 169291384 /nfs/dbraw/zinc/29/13/84/169291384.db2.gz AWLRDGLEZBKOCP-STQMWFEESA-N 2 2 236.359 2.285 10 0 BEAELP CCC[NH2+][C@H]1CC[N@H+]([C@@H](C)Cc2ccco2)C1 ZINC000042590220 169291385 /nfs/dbraw/zinc/29/13/85/169291385.db2.gz AWLRDGLEZBKOCP-STQMWFEESA-N 2 2 236.359 2.285 10 0 BEAELP CCC[NH2+][C@H]1CC[N@H+](Cc2ccncc2)[C@H](C)C1 ZINC000049712484 169292140 /nfs/dbraw/zinc/29/21/40/169292140.db2.gz FUTBRCYSWXENCB-HIFRSBDPSA-N 2 2 247.386 2.434 10 0 BEAELP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccncc2)[C@H](C)C1 ZINC000049712484 169292141 /nfs/dbraw/zinc/29/21/41/169292141.db2.gz FUTBRCYSWXENCB-HIFRSBDPSA-N 2 2 247.386 2.434 10 0 BEAELP c1ccc2[nH+]c(NC[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000133831347 183458914 /nfs/dbraw/zinc/45/89/14/183458914.db2.gz LVVMAPNGAXSGFU-LLVKDONJSA-N 2 2 227.311 2.256 10 0 BEAELP CCCOc1ccc([C@@H]([NH3+])Cn2cc[nH+]c2)cc1 ZINC000022563721 169321357 /nfs/dbraw/zinc/32/13/57/169321357.db2.gz DZGLKLWFIMBQGG-AWEZNQCLSA-N 2 2 245.326 2.372 10 0 BEAELP CCC[C@@H]([NH3+])[C@@H](CC)[N@H+](C)Cc1ccncc1 ZINC000036775869 169393318 /nfs/dbraw/zinc/39/33/18/169393318.db2.gz YTTAZIZEWKPKHJ-ZIAGYGMSSA-N 2 2 235.375 2.419 10 0 BEAELP CCC[C@@H]([NH3+])[C@@H](CC)[N@@H+](C)Cc1ccncc1 ZINC000036775869 169393320 /nfs/dbraw/zinc/39/33/20/169393320.db2.gz YTTAZIZEWKPKHJ-ZIAGYGMSSA-N 2 2 235.375 2.419 10 0 BEAELP CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042544788 384230448 /nfs/dbraw/zinc/23/04/48/384230448.db2.gz YTZGWYJAGBGQIG-FRRDWIJNSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042544788 384230454 /nfs/dbraw/zinc/23/04/54/384230454.db2.gz YTZGWYJAGBGQIG-FRRDWIJNSA-N 2 2 212.381 2.495 10 0 BEAELP Cc1cc[nH+]c(N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000043561767 384286847 /nfs/dbraw/zinc/28/68/47/384286847.db2.gz ARNYPIIGCUGXJG-QWRGUYRKSA-N 2 2 205.305 2.072 10 0 BEAELP Cc1cc[nH+]c(N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000043561766 384287001 /nfs/dbraw/zinc/28/70/01/384287001.db2.gz ARNYPIIGCUGXJG-WDEREUQCSA-N 2 2 205.305 2.072 10 0 BEAELP [NH3+]C[C@H]1CC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000335579858 384342442 /nfs/dbraw/zinc/34/24/42/384342442.db2.gz JLDGYTNVSDENBA-WCQYABFASA-N 2 2 241.338 2.196 10 0 BEAELP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1[NH3+])c1ccco1 ZINC000095068309 384331198 /nfs/dbraw/zinc/33/11/98/384331198.db2.gz JCBLCHTZHBNZCG-OUAUKWLOSA-N 2 2 208.305 2.200 10 0 BEAELP C[NH+](C)[C@H](C[NH3+])c1c[nH]c2c1cccc2Cl ZINC000082329849 384669412 /nfs/dbraw/zinc/66/94/12/384669412.db2.gz FBLOMQBANQAVJI-LLVKDONJSA-N 2 2 237.734 2.383 10 0 BEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000156645200 384914928 /nfs/dbraw/zinc/91/49/28/384914928.db2.gz REPYVTZLMUVUFG-ZDUSSCGKSA-N 2 2 219.332 2.066 10 0 BEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1CC1 ZINC000156645200 384914936 /nfs/dbraw/zinc/91/49/36/384914936.db2.gz REPYVTZLMUVUFG-ZDUSSCGKSA-N 2 2 219.332 2.066 10 0 BEAELP C[NH2+][C@@H]1CCCC[C@H]1[NH+]1CCCCCC1 ZINC000034213098 384998907 /nfs/dbraw/zinc/99/89/07/384998907.db2.gz BEMPWQCHZZFCMS-CHWSQXEVSA-N 2 2 210.365 2.393 10 0 BEAELP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@H]1C ZINC000309139662 385433168 /nfs/dbraw/zinc/43/31/68/385433168.db2.gz STKTVSXPIOPULS-DGCLKSJQSA-N 2 2 204.317 2.321 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1Cl ZINC000044470327 386779933 /nfs/dbraw/zinc/77/99/33/386779933.db2.gz TUUQXTXIOQPCPT-SSDOTTSWSA-N 2 2 238.640 2.317 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)[C@@H]1C[C@H]1C ZINC000321952367 387335998 /nfs/dbraw/zinc/33/59/98/387335998.db2.gz XAFPEPKUHQIUCW-LPWJVIDDSA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)[C@@H]1C[C@H]1C ZINC000321952367 387336003 /nfs/dbraw/zinc/33/60/03/387336003.db2.gz XAFPEPKUHQIUCW-LPWJVIDDSA-N 2 2 210.365 2.105 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000396695913 387484719 /nfs/dbraw/zinc/48/47/19/387484719.db2.gz MFKPINFBKJWIKF-UHTWSYAYSA-N 2 2 234.343 2.387 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CC2)C1 ZINC000151380849 387832031 /nfs/dbraw/zinc/83/20/31/387832031.db2.gz RQEQCOPNQBMYLJ-MDZLAQPJSA-N 2 2 210.365 2.103 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CC2)C1 ZINC000151380849 387832035 /nfs/dbraw/zinc/83/20/35/387832035.db2.gz RQEQCOPNQBMYLJ-MDZLAQPJSA-N 2 2 210.365 2.103 10 0 BEAELP CC[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000248375076 388677796 /nfs/dbraw/zinc/67/77/96/388677796.db2.gz VJBXDPPYYGZHJN-YPMHNXCESA-N 2 2 221.348 2.454 10 0 BEAELP CC[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000248375076 388677797 /nfs/dbraw/zinc/67/77/97/388677797.db2.gz VJBXDPPYYGZHJN-YPMHNXCESA-N 2 2 221.348 2.454 10 0 BEAELP CC1CCC(C[NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000127338029 388721236 /nfs/dbraw/zinc/72/12/36/388721236.db2.gz DWFGACRVLJHYSY-JXQTWKCFSA-N 2 2 224.392 2.497 10 0 BEAELP CC1CCC(C[NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000127338029 388721237 /nfs/dbraw/zinc/72/12/37/388721237.db2.gz DWFGACRVLJHYSY-JXQTWKCFSA-N 2 2 224.392 2.497 10 0 BEAELP Cc1ccc2c(c1)CCC[N@H+]2CCCC(N)=[NH2+] ZINC000019519132 132326042 /nfs/dbraw/zinc/32/60/42/132326042.db2.gz IBDJZSURPBKJAK-UHFFFAOYSA-N 2 2 231.343 2.464 10 0 BEAELP Cc1ccc2c(c1)CCC[N@@H+]2CCCC(N)=[NH2+] ZINC000019519132 132326043 /nfs/dbraw/zinc/32/60/43/132326043.db2.gz IBDJZSURPBKJAK-UHFFFAOYSA-N 2 2 231.343 2.464 10 0 BEAELP C[C@H]1C[NH2+]CCN1c1ccc([NH+]2CCCC2)cc1 ZINC000041296539 132350036 /nfs/dbraw/zinc/35/00/36/132350036.db2.gz JVZSYNLDKPJXLL-ZDUSSCGKSA-N 2 2 245.370 2.085 10 0 BEAELP C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc([NH+](C)C)cc1 ZINC000049711483 132357787 /nfs/dbraw/zinc/35/77/87/132357787.db2.gz QDBHHJFGTHCFNB-NEPJUHHUSA-N 2 2 233.359 2.069 10 0 BEAELP C[C@@H]1C[C@H](C)CN(c2cc[nH+]c(C[NH3+])c2)C1 ZINC000051396428 132360196 /nfs/dbraw/zinc/36/01/96/132360196.db2.gz BWNPSHPLZLDTET-PHIMTYICSA-N 2 2 219.332 2.023 10 0 BEAELP Cc1ccc(N)cc1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000053735385 132363675 /nfs/dbraw/zinc/36/36/75/132363675.db2.gz CXXJMNIHCOCRCH-UHFFFAOYSA-N 2 2 247.386 2.355 10 0 BEAELP C[C@@H]1CN(c2ccc([NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000071560178 132394550 /nfs/dbraw/zinc/39/45/50/132394550.db2.gz HQTNSJKXIIGOQT-CYBMUJFWSA-N 2 2 245.370 2.085 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1CCSC1 ZINC000224377044 134346407 /nfs/dbraw/zinc/34/64/07/134346407.db2.gz WWMZDIYBTDJMJP-QWHCGFSZSA-N 2 2 244.448 2.305 10 0 BEAELP Cc1ccc([C@H]2CCC[N@@H+]2CC[NH3+])s1 ZINC000261530938 135158839 /nfs/dbraw/zinc/15/88/39/135158839.db2.gz DNPIEPLTKDIGFY-SNVBAGLBSA-N 2 2 210.346 2.152 10 0 BEAELP Cc1ccc([C@H]2CCC[N@H+]2CC[NH3+])s1 ZINC000261530938 135158840 /nfs/dbraw/zinc/15/88/40/135158840.db2.gz DNPIEPLTKDIGFY-SNVBAGLBSA-N 2 2 210.346 2.152 10 0 BEAELP COc1ccccc1C[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261551511 135190576 /nfs/dbraw/zinc/19/05/76/135190576.db2.gz WNJCGXLIEFXPBA-JSGCOSHPSA-N 2 2 248.370 2.254 10 0 BEAELP COc1ccccc1C[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261551511 135190578 /nfs/dbraw/zinc/19/05/78/135190578.db2.gz WNJCGXLIEFXPBA-JSGCOSHPSA-N 2 2 248.370 2.254 10 0 BEAELP Cc1csc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261564474 135206317 /nfs/dbraw/zinc/20/63/17/135206317.db2.gz CPVUCOQHFZWMKW-JTQLQIEISA-N 2 2 239.388 2.011 10 0 BEAELP Cc1csc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261564474 135206318 /nfs/dbraw/zinc/20/63/18/135206318.db2.gz CPVUCOQHFZWMKW-JTQLQIEISA-N 2 2 239.388 2.011 10 0 BEAELP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309335019 398075797 /nfs/dbraw/zinc/07/57/97/398075797.db2.gz IUWLNTUSETVYNW-OLZOCXBDSA-N 2 2 230.371 2.445 10 0 BEAELP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309335019 398075800 /nfs/dbraw/zinc/07/58/00/398075800.db2.gz IUWLNTUSETVYNW-OLZOCXBDSA-N 2 2 230.371 2.445 10 0 BEAELP CC(C)[NH2+][C@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000050270787 167139438 /nfs/dbraw/zinc/13/94/38/167139438.db2.gz HIFNDHOONVHYAO-LLVKDONJSA-N 2 2 244.285 2.286 10 0 BEAELP Clc1sccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000312760557 322922326 /nfs/dbraw/zinc/92/23/26/322922326.db2.gz HWJPODWZKRMMKP-MRVPVSSYSA-N 2 2 230.764 2.101 10 0 BEAELP CC(C)C[NH2+]CCC[N@H+](C)Cc1cccnc1 ZINC000052479420 167002587 /nfs/dbraw/zinc/00/25/87/167002587.db2.gz OSEQJXBEYKTITH-UHFFFAOYSA-N 2 2 235.375 2.149 10 0 BEAELP CC(C)C[NH2+]CCC[N@@H+](C)Cc1cccnc1 ZINC000052479420 167002589 /nfs/dbraw/zinc/00/25/89/167002589.db2.gz OSEQJXBEYKTITH-UHFFFAOYSA-N 2 2 235.375 2.149 10 0 BEAELP CC(C)C[NH2+]Cc1c[nH+]c(Cc2ccncc2)[nH]1 ZINC000062821675 167008757 /nfs/dbraw/zinc/00/87/57/167008757.db2.gz VXBQKSGTKVDMBP-UHFFFAOYSA-N 2 2 244.342 2.141 10 0 BEAELP CC(C)[NH2+]CC(C)(C)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000051209718 167096505 /nfs/dbraw/zinc/09/65/05/167096505.db2.gz NPWLRIHHRUEMFC-CHWSQXEVSA-N 2 2 242.407 2.120 10 0 BEAELP CC(C)[NH2+]CC[NH+]1CCC(C2CC2)CC1 ZINC000368331405 167105155 /nfs/dbraw/zinc/10/51/55/167105155.db2.gz NTOMCNLDSNPCGF-UHFFFAOYSA-N 2 2 210.365 2.106 10 0 BEAELP CC(C)[NH2+]C[C@H](C(C)C)[NH+]1CCCCC1 ZINC000052421137 167113211 /nfs/dbraw/zinc/11/32/11/167113211.db2.gz VDECZGOZQBBDNB-CYBMUJFWSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)[NH2+][C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711588 167139531 /nfs/dbraw/zinc/13/95/31/167139531.db2.gz TTXJRELZAYEQAN-SNVBAGLBSA-N 2 2 232.249 2.102 10 0 BEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C1Cc2ccccc2C1 ZINC000049197685 167395538 /nfs/dbraw/zinc/39/55/38/167395538.db2.gz HLJGXZQYJNPQOT-MRXNPFEDSA-N 2 2 246.398 2.330 10 0 BEAELP c1ccc(N2CCC([C@H]3CCC[NH2+]C3)CC2)[nH+]c1 ZINC000656608850 411307803 /nfs/dbraw/zinc/30/78/03/411307803.db2.gz NMMBZLRXEZNCDZ-AWEZNQCLSA-N 2 2 245.370 2.298 10 0 BEAELP C[C@H]1CC[N@@H+](C2(C[NH3+])CCC(C)CC2)C1 ZINC000040717202 168154157 /nfs/dbraw/zinc/15/41/57/168154157.db2.gz RSCQZUHETVAWTC-CPCZMJQVSA-N 2 2 210.365 2.236 10 0 BEAELP C[C@H]1CC[N@H+](C2(C[NH3+])CCC(C)CC2)C1 ZINC000040717202 168154158 /nfs/dbraw/zinc/15/41/58/168154158.db2.gz RSCQZUHETVAWTC-CPCZMJQVSA-N 2 2 210.365 2.236 10 0 BEAELP CC1CC[NH+](C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000039140970 168182850 /nfs/dbraw/zinc/18/28/50/168182850.db2.gz CDBOQNAZNFPCPV-HNNXBMFYSA-N 2 2 232.371 2.288 10 0 BEAELP C[C@H]([NH3+])[C@H]([NH+]1CCC(C)CC1)C(C)(C)C ZINC000043291296 168186998 /nfs/dbraw/zinc/18/69/98/168186998.db2.gz GWKGYWYRBAHDGC-RYUDHWBXSA-N 2 2 212.381 2.480 10 0 BEAELP C[C@@H]1C[C@H](C[NH3+])CN1c1[nH+]ccc2ccccc21 ZINC000216238018 411384867 /nfs/dbraw/zinc/38/48/67/411384867.db2.gz DWAAZSAOXAGESW-VXGBXAGGSA-N 2 2 241.338 2.408 10 0 BEAELP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(C)C ZINC000657328849 411467391 /nfs/dbraw/zinc/46/73/91/411467391.db2.gz FZXJIMPPVHTDGD-LBPRGKRZSA-N 2 2 221.348 2.354 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccsc2)C1 ZINC000328339216 170014612 /nfs/dbraw/zinc/01/46/12/170014612.db2.gz KIAZMQWXSLBHQD-ZYHUDNBSSA-N 2 2 224.373 2.493 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccsc2)C1 ZINC000328339216 170014613 /nfs/dbraw/zinc/01/46/13/170014613.db2.gz KIAZMQWXSLBHQD-ZYHUDNBSSA-N 2 2 224.373 2.493 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@H](C)C2)C1 ZINC000336895511 170020309 /nfs/dbraw/zinc/02/03/09/170020309.db2.gz MZAGRJRUZNNMFA-IHRRRGAJSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@H](C)C2)C1 ZINC000336895511 170020311 /nfs/dbraw/zinc/02/03/11/170020311.db2.gz MZAGRJRUZNNMFA-IHRRRGAJSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C)CCC2)C1 ZINC000336761686 170030659 /nfs/dbraw/zinc/03/06/59/170030659.db2.gz NBAPERNKSXZUFC-NEPJUHHUSA-N 2 2 210.365 2.106 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C)CCC2)C1 ZINC000336761686 170030661 /nfs/dbraw/zinc/03/06/61/170030661.db2.gz NBAPERNKSXZUFC-NEPJUHHUSA-N 2 2 210.365 2.106 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000309034844 170031555 /nfs/dbraw/zinc/03/15/55/170031555.db2.gz HOFOMBIJFSYNPG-VXGBXAGGSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000309034844 170031559 /nfs/dbraw/zinc/03/15/59/170031559.db2.gz HOFOMBIJFSYNPG-VXGBXAGGSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]CC2(C(C)C)CC2)[C@@H](C)C1 ZINC000336776759 170036145 /nfs/dbraw/zinc/03/61/45/170036145.db2.gz GOBZGWLUFJDPFT-STQMWFEESA-N 2 2 224.392 2.352 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]CC2(C(C)C)CC2)[C@@H](C)C1 ZINC000336776759 170036147 /nfs/dbraw/zinc/03/61/47/170036147.db2.gz GOBZGWLUFJDPFT-STQMWFEESA-N 2 2 224.392 2.352 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000309046085 170040155 /nfs/dbraw/zinc/04/01/55/170040155.db2.gz ORNZPOCMYHDFLA-YVECIDJPSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000309046085 170040157 /nfs/dbraw/zinc/04/01/57/170040157.db2.gz ORNZPOCMYHDFLA-YVECIDJPSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000336678610 170040251 /nfs/dbraw/zinc/04/02/51/170040251.db2.gz BXJAILTWRAYRNZ-XDQVBPFNSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000336678610 170040252 /nfs/dbraw/zinc/04/02/52/170040252.db2.gz BXJAILTWRAYRNZ-XDQVBPFNSA-N 2 2 224.392 2.495 10 0 BEAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1C ZINC000657499199 411536301 /nfs/dbraw/zinc/53/63/01/411536301.db2.gz BBGDCDQZKNHVBM-CYZMBNFOSA-N 2 2 219.332 2.007 10 0 BEAELP CC[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000037241064 170108535 /nfs/dbraw/zinc/10/85/35/170108535.db2.gz XHMBKIXAMYGPKT-UHFFFAOYSA-N 2 2 248.370 2.269 10 0 BEAELP CC[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000104428144 170141079 /nfs/dbraw/zinc/14/10/79/170141079.db2.gz VUKMMHHWGXOPOV-DZGCQCFKSA-N 2 2 247.386 2.434 10 0 BEAELP CC[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000104428144 170141080 /nfs/dbraw/zinc/14/10/80/170141080.db2.gz VUKMMHHWGXOPOV-DZGCQCFKSA-N 2 2 247.386 2.434 10 0 BEAELP CC[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000104428138 170141308 /nfs/dbraw/zinc/14/13/08/170141308.db2.gz VUKMMHHWGXOPOV-ZFWWWQNUSA-N 2 2 247.386 2.434 10 0 BEAELP CC[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000104428138 170141310 /nfs/dbraw/zinc/14/13/10/170141310.db2.gz VUKMMHHWGXOPOV-ZFWWWQNUSA-N 2 2 247.386 2.434 10 0 BEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(OC)c1 ZINC000035570315 170145812 /nfs/dbraw/zinc/14/58/12/170145812.db2.gz GZNRDTWOYOIPIQ-ZDUSSCGKSA-N 2 2 245.326 2.312 10 0 BEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccccc1F ZINC000035570417 170146447 /nfs/dbraw/zinc/14/64/47/170146447.db2.gz OVVUCSJRBBWMDE-GFCCVEGCSA-N 2 2 247.317 2.312 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000037241577 170152313 /nfs/dbraw/zinc/15/23/13/170152313.db2.gz QBZPROVSDKKBCF-CQSZACIVSA-N 2 2 218.344 2.179 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000037241577 170152314 /nfs/dbraw/zinc/15/23/14/170152314.db2.gz QBZPROVSDKKBCF-CQSZACIVSA-N 2 2 218.344 2.179 10 0 BEAELP CC[NH2+][C@H](C)C[N@H+](C)Cc1cccc(OC)c1 ZINC000043911932 170157013 /nfs/dbraw/zinc/15/70/13/170157013.db2.gz GFORDLFJGPHIBC-GFCCVEGCSA-N 2 2 236.359 2.125 10 0 BEAELP CC[NH2+][C@H](C)C[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911932 170157014 /nfs/dbraw/zinc/15/70/14/170157014.db2.gz GFORDLFJGPHIBC-GFCCVEGCSA-N 2 2 236.359 2.125 10 0 BEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(OC)cc1 ZINC000035570397 170162834 /nfs/dbraw/zinc/16/28/34/170162834.db2.gz FVWBZPPPKMTZOV-CYBMUJFWSA-N 2 2 245.326 2.312 10 0 BEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(OC)c1 ZINC000035570317 170163011 /nfs/dbraw/zinc/16/30/11/170163011.db2.gz GZNRDTWOYOIPIQ-CYBMUJFWSA-N 2 2 245.326 2.312 10 0 BEAELP CCNc1ccc(Cn2cc[nH+]c2C)c[nH+]1 ZINC000050818411 170174522 /nfs/dbraw/zinc/17/45/22/170174522.db2.gz OCOJRNMODGLKPG-UHFFFAOYSA-N 2 2 216.288 2.067 10 0 BEAELP CC[C@@H](C)C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000309696619 170707851 /nfs/dbraw/zinc/70/78/51/170707851.db2.gz LEDIEYPRUPFETC-VXGBXAGGSA-N 2 2 221.348 2.396 10 0 BEAELP CC[C@@H](C[NH3+])n1c(C)[nH+]c2ccccc21 ZINC000043540891 170822789 /nfs/dbraw/zinc/82/27/89/170822789.db2.gz LHKZMEZQFGTJGO-JTQLQIEISA-N 2 2 203.289 2.255 10 0 BEAELP CC[C@@H]1CC[N@H+](Cc2ccccc2F)CC[NH2+]1 ZINC000049661407 171013138 /nfs/dbraw/zinc/01/31/38/171013138.db2.gz RJXQIMBZWKNNKG-CYBMUJFWSA-N 2 2 236.334 2.400 10 0 BEAELP CC[C@@H]1CC[N@@H+](Cc2ccccc2F)CC[NH2+]1 ZINC000049661407 171013139 /nfs/dbraw/zinc/01/31/39/171013139.db2.gz RJXQIMBZWKNNKG-CYBMUJFWSA-N 2 2 236.334 2.400 10 0 BEAELP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+](C)Cc2cccnc2)C1 ZINC000036771135 171040037 /nfs/dbraw/zinc/04/00/37/171040037.db2.gz LINPFSARUGSFPY-BPLDGKMQSA-N 2 2 247.386 2.419 10 0 BEAELP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+](C)Cc2cccnc2)C1 ZINC000036771135 171040039 /nfs/dbraw/zinc/04/00/39/171040039.db2.gz LINPFSARUGSFPY-BPLDGKMQSA-N 2 2 247.386 2.419 10 0 BEAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)Cc2ccncc2)C1 ZINC000036775960 171056284 /nfs/dbraw/zinc/05/62/84/171056284.db2.gz BEIKTPYOMOFYAF-VHDGCEQUSA-N 2 2 247.386 2.419 10 0 BEAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)Cc2ccncc2)C1 ZINC000036775960 171056286 /nfs/dbraw/zinc/05/62/86/171056286.db2.gz BEIKTPYOMOFYAF-VHDGCEQUSA-N 2 2 247.386 2.419 10 0 BEAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)Cc2ccccn2)C1 ZINC000036777394 171056988 /nfs/dbraw/zinc/05/69/88/171056988.db2.gz WJKUTECWLQOSMH-VHDGCEQUSA-N 2 2 247.386 2.419 10 0 BEAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)Cc2ccccn2)C1 ZINC000036777394 171056990 /nfs/dbraw/zinc/05/69/90/171056990.db2.gz WJKUTECWLQOSMH-VHDGCEQUSA-N 2 2 247.386 2.419 10 0 BEAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2CCO[C@H](CC)C2)C1 ZINC000036769698 171057055 /nfs/dbraw/zinc/05/70/55/171057055.db2.gz CDGQWMYFIABROS-YIYPIFLZSA-N 2 2 240.391 2.003 10 0 BEAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+]2CCO[C@H](CC)C2)C1 ZINC000036769698 171057058 /nfs/dbraw/zinc/05/70/58/171057058.db2.gz CDGQWMYFIABROS-YIYPIFLZSA-N 2 2 240.391 2.003 10 0 BEAELP CC[C@@H]1C[N@H+](CC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000036770131 171083887 /nfs/dbraw/zinc/08/38/87/171083887.db2.gz RLRFTVUMTPEPHG-CABCVRRESA-N 2 2 248.370 2.187 10 0 BEAELP CC[C@@H]1C[N@@H+](CC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000036770131 171083890 /nfs/dbraw/zinc/08/38/90/171083890.db2.gz RLRFTVUMTPEPHG-CABCVRRESA-N 2 2 248.370 2.187 10 0 BEAELP CC[C@H](C)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000128938659 171280560 /nfs/dbraw/zinc/28/05/60/171280560.db2.gz BEYVFLZKNSLJGV-QWHCGFSZSA-N 2 2 221.348 2.394 10 0 BEAELP CC[C@H](C)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000128938659 171280563 /nfs/dbraw/zinc/28/05/63/171280563.db2.gz BEYVFLZKNSLJGV-QWHCGFSZSA-N 2 2 221.348 2.394 10 0 BEAELP CC[C@H](C)C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000133526388 171285710 /nfs/dbraw/zinc/28/57/10/171285710.db2.gz MJFVBXWXQDFPOI-LBPRGKRZSA-N 2 2 244.342 2.403 10 0 BEAELP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@@H+]1CCOC[C@@H]1C ZINC000035775023 171296208 /nfs/dbraw/zinc/29/62/08/171296208.db2.gz QWGTXWBBERZKNM-IHRRRGAJSA-N 2 2 242.407 2.251 10 0 BEAELP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@H+]1CCOC[C@@H]1C ZINC000035775023 171296209 /nfs/dbraw/zinc/29/62/09/171296209.db2.gz QWGTXWBBERZKNM-IHRRRGAJSA-N 2 2 242.407 2.251 10 0 BEAELP CC[C@H](C)[C@@H]([NH3+])C[NH+]1CCC(C)(C)CC1 ZINC000061822625 171372458 /nfs/dbraw/zinc/37/24/58/171372458.db2.gz VQBJGTZYSDBTLI-RYUDHWBXSA-N 2 2 212.381 2.482 10 0 BEAELP CC[C@](C)(C[NH2+]C(C)C)C[N@@H+]1CCOC[C@@H]1C ZINC000051216832 171692833 /nfs/dbraw/zinc/69/28/33/171692833.db2.gz XCFWGZZTJXUKOY-UONOGXRCSA-N 2 2 242.407 2.121 10 0 BEAELP CC[C@](C)(C[NH2+]C(C)C)C[N@H+]1CCOC[C@@H]1C ZINC000051216832 171692834 /nfs/dbraw/zinc/69/28/34/171692834.db2.gz XCFWGZZTJXUKOY-UONOGXRCSA-N 2 2 242.407 2.121 10 0 BEAELP CCc1nc(N[C@H]2CCC[NH2+]C2)cc(C(C)C)[nH+]1 ZINC000045955294 172001291 /nfs/dbraw/zinc/00/12/91/172001291.db2.gz SAAKTAJPTAHHNL-NSHDSACASA-N 2 2 248.374 2.326 10 0 BEAELP CCc1[nH+]c2ccccc2n1CC[NH2+]C1CC1 ZINC000062807535 172013775 /nfs/dbraw/zinc/01/37/75/172013775.db2.gz NRTRGBWEWODWGC-UHFFFAOYSA-N 2 2 229.327 2.351 10 0 BEAELP CCc1[nH+]c2ccccc2n1CCC[NH2+]C ZINC000062807514 172013837 /nfs/dbraw/zinc/01/38/37/172013837.db2.gz SIPXKCINWWZBNY-UHFFFAOYSA-N 2 2 217.316 2.208 10 0 BEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(C)=O)C1 ZINC000106217683 172029112 /nfs/dbraw/zinc/02/91/12/172029112.db2.gz NRUDSSFHPNHHAF-ZDUSSCGKSA-N 2 2 249.358 2.062 10 0 BEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(C)=O)C1 ZINC000106217683 172029113 /nfs/dbraw/zinc/02/91/13/172029113.db2.gz NRUDSSFHPNHHAF-ZDUSSCGKSA-N 2 2 249.358 2.062 10 0 BEAELP C[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000061984734 173123940 /nfs/dbraw/zinc/12/39/40/173123940.db2.gz DLWUGAMBKHUCRK-CYBMUJFWSA-N 2 2 243.354 2.004 10 0 BEAELP C[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000061984734 173123943 /nfs/dbraw/zinc/12/39/43/173123943.db2.gz DLWUGAMBKHUCRK-CYBMUJFWSA-N 2 2 243.354 2.004 10 0 BEAELP C[NH2+]C(C)(C)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000061319701 173319243 /nfs/dbraw/zinc/31/92/43/173319243.db2.gz IEAJRZSCLULCBV-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C(C)(C)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000061319701 173319244 /nfs/dbraw/zinc/31/92/44/173319244.db2.gz IEAJRZSCLULCBV-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000050701819 173322901 /nfs/dbraw/zinc/32/29/01/173322901.db2.gz NDIAGGWRXWLAGP-UHFFFAOYSA-N 2 2 248.370 2.187 10 0 BEAELP C[NH2+]CCC[NH2+]Cc1cccc(F)c1Cl ZINC000083357737 173349508 /nfs/dbraw/zinc/34/95/08/173349508.db2.gz CRWFORLRENHFPY-UHFFFAOYSA-N 2 2 230.714 2.178 10 0 BEAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1 ZINC000042407843 173366874 /nfs/dbraw/zinc/36/68/74/173366874.db2.gz FXYFNXJEJZHLQR-AWEZNQCLSA-N 2 2 248.370 2.269 10 0 BEAELP C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1 ZINC000042407843 173366876 /nfs/dbraw/zinc/36/68/76/173366876.db2.gz FXYFNXJEJZHLQR-AWEZNQCLSA-N 2 2 248.370 2.269 10 0 BEAELP C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000039978697 173378261 /nfs/dbraw/zinc/37/82/61/173378261.db2.gz XBWHTAJATCHJOB-CYBMUJFWSA-N 2 2 204.317 2.043 10 0 BEAELP C[NH2+]C[C@H]1Cc2ccccc2C[N@@H+]1C(C)C ZINC000051860073 173383378 /nfs/dbraw/zinc/38/33/78/173383378.db2.gz MIKXIVNZXUSYHJ-CQSZACIVSA-N 2 2 218.344 2.041 10 0 BEAELP C[NH2+]C[C@H]1Cc2ccccc2C[N@H+]1C(C)C ZINC000051860073 173383380 /nfs/dbraw/zinc/38/33/80/173383380.db2.gz MIKXIVNZXUSYHJ-CQSZACIVSA-N 2 2 218.344 2.041 10 0 BEAELP COC1CC[NH+]([C@@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000037265850 174029995 /nfs/dbraw/zinc/02/99/95/174029995.db2.gz SGSZFRWGDDXRJB-HNNXBMFYSA-N 2 2 248.370 2.106 10 0 BEAELP COCCC[N@H+](C)[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000062029283 174220076 /nfs/dbraw/zinc/22/00/76/174220076.db2.gz GUATVCWFYCWGFW-JSGCOSHPSA-N 2 2 236.359 2.043 10 0 BEAELP COCCC[N@@H+](C)[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000062029283 174220079 /nfs/dbraw/zinc/22/00/79/174220079.db2.gz GUATVCWFYCWGFW-JSGCOSHPSA-N 2 2 236.359 2.043 10 0 BEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CC2)cc1 ZINC000020225880 175178297 /nfs/dbraw/zinc/17/82/97/175178297.db2.gz HRWPBDVPZLGKKS-CQSZACIVSA-N 2 2 234.343 2.037 10 0 BEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CC2)cc1 ZINC000020225880 175178298 /nfs/dbraw/zinc/17/82/98/175178298.db2.gz HRWPBDVPZLGKKS-CQSZACIVSA-N 2 2 234.343 2.037 10 0 BEAELP COc1ccc([C@H]([NH3+])[C@@H](C)n2cc[nH+]c2)cc1 ZINC000023069216 175192389 /nfs/dbraw/zinc/19/23/89/175192389.db2.gz MNSMZEBWLTZVCR-ZWNOBZJWSA-N 2 2 231.299 2.153 10 0 BEAELP COc1cccc([C@@H](C)[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041027844 175287106 /nfs/dbraw/zinc/28/71/06/175287106.db2.gz VNEZORRJPBYODI-YPMHNXCESA-N 2 2 234.343 2.179 10 0 BEAELP COc1cccc([C@@H](C)[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041027844 175287107 /nfs/dbraw/zinc/28/71/07/175287107.db2.gz VNEZORRJPBYODI-YPMHNXCESA-N 2 2 234.343 2.179 10 0 BEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CC[C@@H](C)C2)c1 ZINC000043027396 175290120 /nfs/dbraw/zinc/29/01/20/175290120.db2.gz NFVRVAWIOPKEAX-LALPHHSUSA-N 2 2 248.370 2.425 10 0 BEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CC[C@@H](C)C2)c1 ZINC000043027396 175290122 /nfs/dbraw/zinc/29/01/22/175290122.db2.gz NFVRVAWIOPKEAX-LALPHHSUSA-N 2 2 248.370 2.425 10 0 BEAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](C)C(C)C)c1 ZINC000043025667 175295544 /nfs/dbraw/zinc/29/55/44/175295544.db2.gz UWJAISODSCWBJR-RISCZKNCSA-N 2 2 236.359 2.424 10 0 BEAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)C(C)C)c1 ZINC000043025667 175295546 /nfs/dbraw/zinc/29/55/46/175295546.db2.gz UWJAISODSCWBJR-RISCZKNCSA-N 2 2 236.359 2.424 10 0 BEAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+]1CC[C@@H](C)C1 ZINC000043097836 175348892 /nfs/dbraw/zinc/34/88/92/175348892.db2.gz NVGVQRHISSGAPP-LALPHHSUSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+]1CC[C@@H](C)C1 ZINC000043097836 175348893 /nfs/dbraw/zinc/34/88/93/175348893.db2.gz NVGVQRHISSGAPP-LALPHHSUSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)C(C)C ZINC000022223698 175353842 /nfs/dbraw/zinc/35/38/42/175353842.db2.gz RTDCMYLVHJPCBK-LBPRGKRZSA-N 2 2 222.332 2.035 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)C(C)C ZINC000022223698 175353843 /nfs/dbraw/zinc/35/38/43/175353843.db2.gz RTDCMYLVHJPCBK-LBPRGKRZSA-N 2 2 222.332 2.035 10 0 BEAELP COc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000043097113 175354375 /nfs/dbraw/zinc/35/43/75/175354375.db2.gz ZNJWOMXYNQDUJL-HZMBPMFUSA-N 2 2 234.343 2.178 10 0 BEAELP COc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000043097113 175354376 /nfs/dbraw/zinc/35/43/76/175354376.db2.gz ZNJWOMXYNQDUJL-HZMBPMFUSA-N 2 2 234.343 2.178 10 0 BEAELP COc1ccccc1[C@H]([C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000043096598 175354382 /nfs/dbraw/zinc/35/43/82/175354382.db2.gz NDMSVXBADPAGEN-RISCZKNCSA-N 2 2 234.343 2.179 10 0 BEAELP C[C@@H](C[NH2+]CCc1c[nH]c[nH+]1)c1ccccc1 ZINC000083356970 175731717 /nfs/dbraw/zinc/73/17/17/175731717.db2.gz GAYFOGGHEIKIRY-LBPRGKRZSA-N 2 2 229.327 2.346 10 0 BEAELP C[C@@H](C[NH2+]CCc1c[nH+]c[nH]1)c1ccccc1 ZINC000083356970 175731718 /nfs/dbraw/zinc/73/17/18/175731718.db2.gz GAYFOGGHEIKIRY-LBPRGKRZSA-N 2 2 229.327 2.346 10 0 BEAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccccc1F ZINC000037910323 176109490 /nfs/dbraw/zinc/10/94/90/176109490.db2.gz DRDGZLNSKHLKEX-MFKMUULPSA-N 2 2 222.307 2.310 10 0 BEAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccccc1F ZINC000037910323 176109491 /nfs/dbraw/zinc/10/94/91/176109491.db2.gz DRDGZLNSKHLKEX-MFKMUULPSA-N 2 2 222.307 2.310 10 0 BEAELP C[C@@H]1CCC[C@@H]([N@@H+]2CCC[NH2+][C@H](C)C2)C1 ZINC000062570381 176120756 /nfs/dbraw/zinc/12/07/56/176120756.db2.gz DSANCQKOGOSTQV-JHJVBQTASA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H]1CCC[C@@H]([N@H+]2CCC[NH2+][C@H](C)C2)C1 ZINC000062570381 176120758 /nfs/dbraw/zinc/12/07/58/176120758.db2.gz DSANCQKOGOSTQV-JHJVBQTASA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2ccncc2)C1 ZINC000036775759 176151561 /nfs/dbraw/zinc/15/15/61/176151561.db2.gz FNNJJMGKKIYDQR-HIFRSBDPSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2ccncc2)C1 ZINC000036775759 176151562 /nfs/dbraw/zinc/15/15/62/176151562.db2.gz FNNJJMGKKIYDQR-HIFRSBDPSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CC[N@@H+](C2(C[NH3+])CCCCCC2)C1 ZINC000040717216 176166162 /nfs/dbraw/zinc/16/61/62/176166162.db2.gz KZNVVWGPOKIXAX-GFCCVEGCSA-N 2 2 210.365 2.380 10 0 BEAELP C[C@@H]1CC[N@H+](C2(C[NH3+])CCCCCC2)C1 ZINC000040717216 176166163 /nfs/dbraw/zinc/16/61/63/176166163.db2.gz KZNVVWGPOKIXAX-GFCCVEGCSA-N 2 2 210.365 2.380 10 0 BEAELP C[C@@H]1CC[NH2+]CC[N@@H+]1C1CCCCCC1 ZINC000071512334 176184109 /nfs/dbraw/zinc/18/41/09/176184109.db2.gz BHFSJZKYLQOXKZ-GFCCVEGCSA-N 2 2 210.365 2.393 10 0 BEAELP C[C@@H]1CC[NH2+]CC[N@H+]1C1CCCCCC1 ZINC000071512334 176184110 /nfs/dbraw/zinc/18/41/10/176184110.db2.gz BHFSJZKYLQOXKZ-GFCCVEGCSA-N 2 2 210.365 2.393 10 0 BEAELP C[C@@H]1C[NH+](CC[C@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000020071804 176293676 /nfs/dbraw/zinc/29/36/76/176293676.db2.gz QWBQINSEJBQQOP-NFAWXSAZSA-N 2 2 248.370 2.186 10 0 BEAELP C[C@@H]1C[NH2+]CC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000049660817 176325894 /nfs/dbraw/zinc/32/58/94/176325894.db2.gz LZAMYGBFPWPSPJ-DYCFOQDWSA-N 2 2 248.414 2.497 10 0 BEAELP C[C@@H]1C[NH2+]CC[N@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000049660817 176325896 /nfs/dbraw/zinc/32/58/96/176325896.db2.gz LZAMYGBFPWPSPJ-DYCFOQDWSA-N 2 2 248.414 2.497 10 0 BEAELP C[C@H]1CCCC[C@@H]1[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000042606718 177080426 /nfs/dbraw/zinc/08/04/26/177080426.db2.gz NWYUYCAJYRMMJT-STQMWFEESA-N 2 2 240.391 2.005 10 0 BEAELP C[C@H]1CCCC[C@@H]1[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000042606718 177080429 /nfs/dbraw/zinc/08/04/29/177080429.db2.gz NWYUYCAJYRMMJT-STQMWFEESA-N 2 2 240.391 2.005 10 0 BEAELP C[C@H]1CCCC[C@H]1[NH2+]CCc1[nH+]ccn1C ZINC000040638579 177089127 /nfs/dbraw/zinc/08/91/27/177089127.db2.gz NOYVIULOYKGVDQ-NWDGAFQWSA-N 2 2 221.348 2.131 10 0 BEAELP C[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000037910444 177111671 /nfs/dbraw/zinc/11/16/71/177111671.db2.gz GMMCSGFNTMGBOJ-GWCFXTLKSA-N 2 2 222.307 2.310 10 0 BEAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000037910444 177111672 /nfs/dbraw/zinc/11/16/72/177111672.db2.gz GMMCSGFNTMGBOJ-GWCFXTLKSA-N 2 2 222.307 2.310 10 0 BEAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2ccccn2)C1 ZINC000036777279 177127704 /nfs/dbraw/zinc/12/77/04/177127704.db2.gz DGHICEPDLNFVCI-DZGCQCFKSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2ccccn2)C1 ZINC000036777279 177127705 /nfs/dbraw/zinc/12/77/05/177127705.db2.gz DGHICEPDLNFVCI-DZGCQCFKSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CC[N@H+](CCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000111679769 177161036 /nfs/dbraw/zinc/16/10/36/177161036.db2.gz CVPLDBJXRUJHOR-KBPBESRZSA-N 2 2 248.370 2.125 10 0 BEAELP C[C@H]1CC[N@@H+](CCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000111679769 177161037 /nfs/dbraw/zinc/16/10/37/177161037.db2.gz CVPLDBJXRUJHOR-KBPBESRZSA-N 2 2 248.370 2.125 10 0 BEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000340451413 177237988 /nfs/dbraw/zinc/23/79/88/177237988.db2.gz MKAOWBFJHXWFOY-IGRMKNIWSA-N 2 2 248.414 2.351 10 0 BEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000340451413 177237989 /nfs/dbraw/zinc/23/79/89/177237989.db2.gz MKAOWBFJHXWFOY-IGRMKNIWSA-N 2 2 248.414 2.351 10 0 BEAELP C[C@@H]1C[N@H+]([C@@]2(C[NH3+])CCCC[C@H]2C)C[C@H](C)O1 ZINC000034754806 177275296 /nfs/dbraw/zinc/27/52/96/177275296.db2.gz YYTZQACFASOKKM-YIYPIFLZSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1C[N@@H+]([C@@]2(C[NH3+])CCCC[C@H]2C)C[C@H](C)O1 ZINC000034754806 177275297 /nfs/dbraw/zinc/27/52/97/177275297.db2.gz YYTZQACFASOKKM-YIYPIFLZSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000019390124 177315079 /nfs/dbraw/zinc/31/50/79/177315079.db2.gz XBCBFSSRCVGIEN-QNWHQSFQSA-N 2 2 210.365 2.234 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000019390124 177315080 /nfs/dbraw/zinc/31/50/80/177315080.db2.gz XBCBFSSRCVGIEN-QNWHQSFQSA-N 2 2 210.365 2.234 10 0 BEAELP C[C@H]1C[C@@H]1C[N@H+](C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111823819 177342511 /nfs/dbraw/zinc/34/25/11/177342511.db2.gz DVDXTUCUYIUGFK-SUHUHFCYSA-N 2 2 236.334 2.413 10 0 BEAELP C[C@H]1C[C@@H]1C[N@@H+](C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111823819 177342512 /nfs/dbraw/zinc/34/25/12/177342512.db2.gz DVDXTUCUYIUGFK-SUHUHFCYSA-N 2 2 236.334 2.413 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000227504077 487962053 /nfs/dbraw/zinc/96/20/53/487962053.db2.gz JTOHFWFQBVOXBU-XQQFMLRXSA-N 2 2 244.448 2.446 10 0 BEAELP C[C@@H]1C[N@H+](Cc2ccnc3ccccc23)C[C@@H]1[NH3+] ZINC000235395220 487948415 /nfs/dbraw/zinc/94/84/15/487948415.db2.gz BJVHNMQVPDOMAZ-RISCZKNCSA-N 2 2 241.338 2.014 10 0 BEAELP C[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)C[C@@H]1[NH3+] ZINC000235395220 487948418 /nfs/dbraw/zinc/94/84/18/487948418.db2.gz BJVHNMQVPDOMAZ-RISCZKNCSA-N 2 2 241.338 2.014 10 0 BEAELP CC(C)C([NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000379911302 488156424 /nfs/dbraw/zinc/15/64/24/488156424.db2.gz MWRLCCSCXBRAFG-LBPRGKRZSA-N 2 2 212.381 2.351 10 0 BEAELP CC(C)C([NH2+]C[C@@H]1CCC[N@H+]1C)C(C)C ZINC000379911302 488156428 /nfs/dbraw/zinc/15/64/28/488156428.db2.gz MWRLCCSCXBRAFG-LBPRGKRZSA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H]([NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C)C1CC1 ZINC000309171497 491145765 /nfs/dbraw/zinc/14/57/65/491145765.db2.gz LKUKINDZXYCEHO-WCFLWFBJSA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C)C1CC1 ZINC000309171497 491145766 /nfs/dbraw/zinc/14/57/66/491145766.db2.gz LKUKINDZXYCEHO-WCFLWFBJSA-N 2 2 210.365 2.105 10 0 BEAELP C[C@H]([NH2+][C@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000400443410 534008591 /nfs/dbraw/zinc/00/85/91/534008591.db2.gz OWJPPHQJXHGZSZ-UBHSHLNASA-N 2 2 246.354 2.240 10 0 BEAELP CC(C)(C)COc1ccccc1C[NH2+]CC[NH3+] ZINC000072226339 518671735 /nfs/dbraw/zinc/67/17/35/518671735.db2.gz GINGSFUXVOKPCS-UHFFFAOYSA-N 2 2 236.359 2.160 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000226615551 535539431 /nfs/dbraw/zinc/53/94/31/535539431.db2.gz JELFVAGICDKGQI-ZIAGYGMSSA-N 2 2 222.376 2.417 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000226615551 535539437 /nfs/dbraw/zinc/53/94/37/535539437.db2.gz JELFVAGICDKGQI-ZIAGYGMSSA-N 2 2 222.376 2.417 10 0 BEAELP C(C[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1)C1CC1 ZINC000757134177 582510197 /nfs/dbraw/zinc/51/01/97/582510197.db2.gz WRCWNRDJFGFOEQ-HNNXBMFYSA-N 2 2 234.387 2.347 10 0 BEAELP C(C[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1)C1CC1 ZINC000757134177 582510199 /nfs/dbraw/zinc/51/01/99/582510199.db2.gz WRCWNRDJFGFOEQ-HNNXBMFYSA-N 2 2 234.387 2.347 10 0 BEAELP CC(=O)c1cccc([C@@H]2CC[C@H]([NH3+])[C@H](C)[NH2+]2)c1 ZINC000757218555 582562349 /nfs/dbraw/zinc/56/23/49/582562349.db2.gz WFASCCHLKQNSFA-HERUPUMHSA-N 2 2 232.327 2.030 10 0 BEAELP CC(=O)c1cccc([C@@H]2CC[C@@H]([NH3+])[C@H](C)[NH2+]2)c1 ZINC000757218554 582562836 /nfs/dbraw/zinc/56/28/36/582562836.db2.gz WFASCCHLKQNSFA-FZZIBODNSA-N 2 2 232.327 2.030 10 0 BEAELP Fc1cccc2c1CC[C@@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000112344065 582819710 /nfs/dbraw/zinc/81/97/10/582819710.db2.gz KLMCPNBXXPXODL-ZDUSSCGKSA-N 2 2 231.274 2.326 10 0 BEAELP CCC[C@H](C)C[NH2+]CC(C)(C)[NH+](C)C ZINC000020125991 590076584 /nfs/dbraw/zinc/07/65/84/590076584.db2.gz XFLILZFXLSLOGM-NSHDSACASA-N 2 2 200.370 2.352 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000040502085 633816911 /nfs/dbraw/zinc/81/69/11/633816911.db2.gz ZTEWUCKJKZVXMX-HNNXBMFYSA-N 2 2 232.371 2.303 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000040502085 633816917 /nfs/dbraw/zinc/81/69/17/633816917.db2.gz ZTEWUCKJKZVXMX-HNNXBMFYSA-N 2 2 232.371 2.303 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000040502086 633817170 /nfs/dbraw/zinc/81/71/70/633817170.db2.gz ZTEWUCKJKZVXMX-OAHLLOKOSA-N 2 2 232.371 2.303 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000040502086 633817173 /nfs/dbraw/zinc/81/71/73/633817173.db2.gz ZTEWUCKJKZVXMX-OAHLLOKOSA-N 2 2 232.371 2.303 10 0 BEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1ccccc1F ZINC000111273259 637097373 /nfs/dbraw/zinc/09/73/73/637097373.db2.gz HTIWBZROMRSJCR-YPMHNXCESA-N 2 2 236.334 2.113 10 0 BEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1ccccc1F ZINC000111273259 637097377 /nfs/dbraw/zinc/09/73/77/637097377.db2.gz HTIWBZROMRSJCR-YPMHNXCESA-N 2 2 236.334 2.113 10 0 BEAELP CCCC[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037167284 711466507 /nfs/dbraw/zinc/46/65/07/711466507.db2.gz ZQHCNSWFCHIBFH-GFCCVEGCSA-N 2 2 200.370 2.352 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1CCC=CO1 ZINC000050269095 643673393 /nfs/dbraw/zinc/67/33/93/643673393.db2.gz BOEVCUFPFMFZNW-KGLIPLIRSA-N 2 2 240.391 2.245 10 0 BEAELP [NH3+]C[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000132070102 645852378 /nfs/dbraw/zinc/85/23/78/645852378.db2.gz OZRSYLXVWUBSHC-LBPRGKRZSA-N 2 2 241.338 2.410 10 0 BEAELP c1cc2c(s1)CC[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000037478493 712648371 /nfs/dbraw/zinc/64/83/71/712648371.db2.gz AICSPBPXGAAZMO-UHFFFAOYSA-N 2 2 236.384 2.248 10 0 BEAELP c1cc2c(s1)CC[N@H+](CCC[NH2+]C1CC1)C2 ZINC000037478493 712648372 /nfs/dbraw/zinc/64/83/72/712648372.db2.gz AICSPBPXGAAZMO-UHFFFAOYSA-N 2 2 236.384 2.248 10 0 BEAELP CCCC[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037167283 712550000 /nfs/dbraw/zinc/55/00/00/712550000.db2.gz ZQHCNSWFCHIBFH-LBPRGKRZSA-N 2 2 200.370 2.352 10 0 BEAELP COc1ccc([C@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616615344 398174875 /nfs/dbraw/zinc/17/48/75/398174875.db2.gz WGTPCCUGWRGDDJ-CQSZACIVSA-N 2 2 234.343 2.181 10 0 BEAELP COc1ccc([C@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616615344 398174877 /nfs/dbraw/zinc/17/48/77/398174877.db2.gz WGTPCCUGWRGDDJ-CQSZACIVSA-N 2 2 234.343 2.181 10 0 BEAELP Cc1cc(N(C)[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000104362855 178100114 /nfs/dbraw/zinc/10/01/14/178100114.db2.gz RLJPQUYQQNAEJN-LBPRGKRZSA-N 2 2 248.374 2.097 10 0 BEAELP Cc1cc(NC(=O)C2CCC(C[NH3+])CC2)cc[nH+]1 ZINC000000012059 178124840 /nfs/dbraw/zinc/12/48/40/178124840.db2.gz NDBPUCWSVMFDHJ-UHFFFAOYSA-N 2 2 247.342 2.094 10 0 BEAELP Cc1cc(N[C@H]2CCC[NH2+][C@@H]2C)nc(C(C)C)[nH+]1 ZINC000229606576 178188750 /nfs/dbraw/zinc/18/87/50/178188750.db2.gz MTCGMIWEMAINSG-NEPJUHHUSA-N 2 2 248.374 2.461 10 0 BEAELP Cc1cc([C@@H](C)[N@@H+]2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000041027910 178220594 /nfs/dbraw/zinc/22/05/94/178220594.db2.gz CZLQSHWQPNUKPV-PWSUYJOCSA-N 2 2 222.332 2.381 10 0 BEAELP Cc1cc([C@@H](C)[N@H+]2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000041027910 178220596 /nfs/dbraw/zinc/22/05/96/178220596.db2.gz CZLQSHWQPNUKPV-PWSUYJOCSA-N 2 2 222.332 2.381 10 0 BEAELP CCC(CC)C[NH2+]CC[NH+](CC)CC ZINC000019919242 168360339 /nfs/dbraw/zinc/36/03/39/168360339.db2.gz NUXOZHWGWSDENS-UHFFFAOYSA-N 2 2 200.370 2.354 10 0 BEAELP Cc1cc2ccccc2[nH+]c1N(C)CCC[NH3+] ZINC000063105395 178298905 /nfs/dbraw/zinc/29/89/05/178298905.db2.gz JEEHTGUDJNXNCP-UHFFFAOYSA-N 2 2 229.327 2.328 10 0 BEAELP CCC(CC)[N@H+](CCOC)[C@@](C)(C[NH3+])C(C)C ZINC000042681766 168376192 /nfs/dbraw/zinc/37/61/92/168376192.db2.gz GHTHABASPPICER-AWEZNQCLSA-N 2 2 244.423 2.497 10 0 BEAELP CCC(CC)[N@@H+](CCOC)[C@@](C)(C[NH3+])C(C)C ZINC000042681766 168376193 /nfs/dbraw/zinc/37/61/93/168376193.db2.gz GHTHABASPPICER-AWEZNQCLSA-N 2 2 244.423 2.497 10 0 BEAELP CC[C@H]1C[N@H+](C/C(C)=C\Cl)CCC[NH2+]1 ZINC000308461114 342814838 /nfs/dbraw/zinc/81/48/38/342814838.db2.gz WKZPJBXXRPRCBH-BRNRAETOSA-N 2 2 216.756 2.203 10 0 BEAELP CC[C@H]1C[N@@H+](C/C(C)=C\Cl)CCC[NH2+]1 ZINC000308461114 342814839 /nfs/dbraw/zinc/81/48/39/342814839.db2.gz WKZPJBXXRPRCBH-BRNRAETOSA-N 2 2 216.756 2.203 10 0 BEAELP CCC[NH2+][C@@H]1CCCC[C@@H]1n1cc[nH+]c1 ZINC000043992319 538986037 /nfs/dbraw/zinc/98/60/37/538986037.db2.gz QEEZEDOLIDOPJZ-NEPJUHHUSA-N 2 2 207.321 2.366 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000381648788 539006168 /nfs/dbraw/zinc/00/61/68/539006168.db2.gz CMJPDNRANLASLN-RYSNWHEDSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000381648788 539006170 /nfs/dbraw/zinc/00/61/70/539006170.db2.gz CMJPDNRANLASLN-RYSNWHEDSA-N 2 2 224.392 2.351 10 0 BEAELP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000381729880 539006624 /nfs/dbraw/zinc/00/66/24/539006624.db2.gz NGXXKIUVMZKPFO-AVGNSLFASA-N 2 2 228.355 2.199 10 0 BEAELP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000381729880 539006625 /nfs/dbraw/zinc/00/66/25/539006625.db2.gz NGXXKIUVMZKPFO-AVGNSLFASA-N 2 2 228.355 2.199 10 0 BEAELP CC1(C)CC[NH+](Cc2csc(C[NH3+])n2)CC1 ZINC000061823214 539015542 /nfs/dbraw/zinc/01/55/42/539015542.db2.gz HXLMVPHIGMLPDL-UHFFFAOYSA-N 2 2 239.388 2.224 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@@H+]1CCc2ccccc2C1 ZINC000019852555 187222704 /nfs/dbraw/zinc/22/27/04/187222704.db2.gz HQDIRAZAGKAUPD-HNNXBMFYSA-N 2 2 232.371 2.418 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@H+]1CCc2ccccc2C1 ZINC000019852555 187222705 /nfs/dbraw/zinc/22/27/05/187222705.db2.gz HQDIRAZAGKAUPD-HNNXBMFYSA-N 2 2 232.371 2.418 10 0 BEAELP Cc1c(C)c(C)c([C@H]([NH3+])C[NH3+])c(C)c1C ZINC000072200685 343069150 /nfs/dbraw/zinc/06/91/50/343069150.db2.gz XBJRSHAHPCNTEJ-GFCCVEGCSA-N 2 2 206.333 2.187 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1ccc(C(F)(F)F)c(Cl)c1 ZINC000072201407 343069433 /nfs/dbraw/zinc/06/94/33/343069433.db2.gz HXFSPKLBKCXSMF-MRVPVSSYSA-N 2 2 238.640 2.317 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1ccccc1SC(F)(F)F ZINC000072201339 343069439 /nfs/dbraw/zinc/06/94/39/343069439.db2.gz ZENJBZAFZFWBKJ-SSDOTTSWSA-N 2 2 236.262 2.257 10 0 BEAELP CC(C)[C@H]1c2ccccc2CC[N@H+]1CC[NH3+] ZINC000309317521 343221362 /nfs/dbraw/zinc/22/13/62/343221362.db2.gz ZIQWIISAXPBXIE-AWEZNQCLSA-N 2 2 218.344 2.201 10 0 BEAELP CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC[NH3+] ZINC000309317521 343221365 /nfs/dbraw/zinc/22/13/65/343221365.db2.gz ZIQWIISAXPBXIE-AWEZNQCLSA-N 2 2 218.344 2.201 10 0 BEAELP C[C@@H](C[NH3+])c1c[nH+]c2ccc(Cl)cn21 ZINC000033507409 343255943 /nfs/dbraw/zinc/25/59/43/343255943.db2.gz REXKGMNJJBVTLL-ZETCQYMHSA-N 2 2 209.680 2.050 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000308953578 346943292 /nfs/dbraw/zinc/94/32/92/346943292.db2.gz YKVHLJSKVFIJGO-ZDEQEGDKSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000308953578 346943294 /nfs/dbraw/zinc/94/32/94/346943294.db2.gz YKVHLJSKVFIJGO-ZDEQEGDKSA-N 2 2 210.365 2.105 10 0 BEAELP C[C@@H]1C[NH2+]C[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000401832736 343735091 /nfs/dbraw/zinc/73/50/91/343735091.db2.gz JLZZTIWHHRYUPG-JSGCOSHPSA-N 2 2 218.344 2.116 10 0 BEAELP C[C@@H]1C[NH2+]C[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000401832736 343735094 /nfs/dbraw/zinc/73/50/94/343735094.db2.gz JLZZTIWHHRYUPG-JSGCOSHPSA-N 2 2 218.344 2.116 10 0 BEAELP C=Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000409424060 343816892 /nfs/dbraw/zinc/81/68/92/343816892.db2.gz SQDJCJMQEVVYDU-CQSZACIVSA-N 2 2 216.328 2.253 10 0 BEAELP C=Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000409424060 343816893 /nfs/dbraw/zinc/81/68/93/343816893.db2.gz SQDJCJMQEVVYDU-CQSZACIVSA-N 2 2 216.328 2.253 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1Cl ZINC000072201404 343823121 /nfs/dbraw/zinc/82/31/21/343823121.db2.gz UQZMQFQURJFZJS-QMMMGPOBSA-N 2 2 238.640 2.317 10 0 BEAELP CCC[C@]1([NH2+]Cc2ccccc2)CC[NH2+]C1 ZINC000306926294 344518170 /nfs/dbraw/zinc/51/81/70/344518170.db2.gz PROGGNBRWVTRPZ-AWEZNQCLSA-N 2 2 218.344 2.308 10 0 BEAELP CCc1nc(NCC2CC[NH2+]CC2)c(C)c(C)[nH+]1 ZINC000045954825 192075494 /nfs/dbraw/zinc/07/54/94/192075494.db2.gz UMIYZOIDHAISKK-UHFFFAOYSA-N 2 2 248.374 2.067 10 0 BEAELP C[C@@H](c1ccco1)[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000251234160 345490422 /nfs/dbraw/zinc/49/04/22/345490422.db2.gz CQYOUXHDTANJDL-QWRGUYRKSA-N 2 2 208.305 2.154 10 0 BEAELP C[C@@H](c1ccco1)[N@H+]1CCCC[C@H]1C[NH3+] ZINC000251234160 345490424 /nfs/dbraw/zinc/49/04/24/345490424.db2.gz CQYOUXHDTANJDL-QWRGUYRKSA-N 2 2 208.305 2.154 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000336697953 187303883 /nfs/dbraw/zinc/30/38/83/187303883.db2.gz JAPFNEWCROJBST-MGPQQGTHSA-N 2 2 242.407 2.120 10 0 BEAELP C[C@H]1CCCn2cc(C3CC[NH2+]CC3)[nH+]c21 ZINC000258106294 345779872 /nfs/dbraw/zinc/77/98/72/345779872.db2.gz CAHKJVONULZMSY-JTQLQIEISA-N 2 2 219.332 2.247 10 0 BEAELP C[C@H]1CCCn2cc([C@H]3CCC[NH2+]C3)[nH+]c21 ZINC000258432883 345783901 /nfs/dbraw/zinc/78/39/01/345783901.db2.gz OUYMBPRSKZKHEJ-QWRGUYRKSA-N 2 2 219.332 2.247 10 0 BEAELP C[C@@H]1CCCc2[nH+]c(C3CC[NH2+]CC3)cn21 ZINC000258447078 345783975 /nfs/dbraw/zinc/78/39/75/345783975.db2.gz PJEUGNBTTVMCCU-SNVBAGLBSA-N 2 2 219.332 2.247 10 0 BEAELP Cc1cccc(CCC[NH2+]CC[NH+](C)C)c1 ZINC000041234440 179054730 /nfs/dbraw/zinc/05/47/30/179054730.db2.gz DNOJUUICNFJZFR-UHFFFAOYSA-N 2 2 220.360 2.079 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH3+])[C@H]1c1ccc(C)s1 ZINC000250266260 362798410 /nfs/dbraw/zinc/79/84/10/362798410.db2.gz KMRQUXJYTMNNNO-ONGXEEELSA-N 2 2 210.346 2.151 10 0 BEAELP CC[N@H+]1CC[C@H]([NH3+])[C@H]1c1ccc(C)s1 ZINC000250266260 362798418 /nfs/dbraw/zinc/79/84/18/362798418.db2.gz KMRQUXJYTMNNNO-ONGXEEELSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccccc1[C@@H]([NH3+])CC[N@H+]1CCOC[C@@H]1C ZINC000054017701 179324005 /nfs/dbraw/zinc/32/40/05/179324005.db2.gz QIDMIUAMTFDRGS-ZFWWWQNUSA-N 2 2 248.370 2.106 10 0 BEAELP Cc1ccccc1[C@@H]([NH3+])CC[N@@H+]1CCOC[C@@H]1C ZINC000054017701 179324007 /nfs/dbraw/zinc/32/40/07/179324007.db2.gz QIDMIUAMTFDRGS-ZFWWWQNUSA-N 2 2 248.370 2.106 10 0 BEAELP c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000037168597 348024875 /nfs/dbraw/zinc/02/48/75/348024875.db2.gz SCTRVPQBVADAOD-UONOGXRCSA-N 2 2 216.328 2.013 10 0 BEAELP c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]23)cc1 ZINC000037168597 348024876 /nfs/dbraw/zinc/02/48/76/348024876.db2.gz SCTRVPQBVADAOD-UONOGXRCSA-N 2 2 216.328 2.013 10 0 BEAELP CCC(CC)[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 ZINC000616579116 349130203 /nfs/dbraw/zinc/13/02/03/349130203.db2.gz QXHXOXJWPAJNFL-CYBMUJFWSA-N 2 2 222.376 2.391 10 0 BEAELP CC[C@@H](C)c1[nH+]c2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253380 538037459 /nfs/dbraw/zinc/03/74/59/538037459.db2.gz JRVUMDZGUVFQLS-RKDXNWHRSA-N 2 2 207.321 2.270 10 0 BEAELP Cc1[nH+]c2cc(C[NH3+])ccc2n1C(C)C ZINC000062213989 180078390 /nfs/dbraw/zinc/07/83/90/180078390.db2.gz QTWRDSTXJHSGLC-UHFFFAOYSA-N 2 2 203.289 2.384 10 0 BEAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cc(F)ccc1F ZINC000211640994 538062210 /nfs/dbraw/zinc/06/22/10/538062210.db2.gz DECBJGFGSJTVLI-BXKDBHETSA-N 2 2 226.270 2.059 10 0 BEAELP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cc(F)ccc1F ZINC000211640994 538062215 /nfs/dbraw/zinc/06/22/15/538062215.db2.gz DECBJGFGSJTVLI-BXKDBHETSA-N 2 2 226.270 2.059 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304513972 350161122 /nfs/dbraw/zinc/16/11/22/350161122.db2.gz DRCGNHXMUPJQKP-IGQOVBAYSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304513972 350161125 /nfs/dbraw/zinc/16/11/25/350161125.db2.gz DRCGNHXMUPJQKP-IGQOVBAYSA-N 2 2 222.376 2.249 10 0 BEAELP C[C@H](c1cscn1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309198255 350168318 /nfs/dbraw/zinc/16/83/18/350168318.db2.gz MJLXPVGXFVWXOI-CKYFFXLPSA-N 2 2 239.388 2.121 10 0 BEAELP C[C@H](c1cscn1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309198255 350168320 /nfs/dbraw/zinc/16/83/20/350168320.db2.gz MJLXPVGXFVWXOI-CKYFFXLPSA-N 2 2 239.388 2.121 10 0 BEAELP CCC[C@@H]1CCCC[C@H]1[NH2+]CC[NH+](C)C ZINC000309237489 350216292 /nfs/dbraw/zinc/21/62/92/350216292.db2.gz XTQGMOUBYATGCW-CHWSQXEVSA-N 2 2 212.381 2.497 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384878338 350609884 /nfs/dbraw/zinc/60/98/84/350609884.db2.gz JKFRKXIOPKTKES-REWJHTLYSA-N 2 2 242.407 2.118 10 0 BEAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2ccccc2F)C1 ZINC000616603832 350795849 /nfs/dbraw/zinc/79/58/49/350795849.db2.gz ISKBUJNVVLBTIG-LBPRGKRZSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@H+]1CCCC[C@H](c2ccccc2F)C1 ZINC000616603832 350795851 /nfs/dbraw/zinc/79/58/51/350795851.db2.gz ISKBUJNVVLBTIG-LBPRGKRZSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000616614772 350838227 /nfs/dbraw/zinc/83/82/27/350838227.db2.gz LLZVRCMKWVYZQQ-CYBMUJFWSA-N 2 2 222.307 2.311 10 0 BEAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000616614772 350838231 /nfs/dbraw/zinc/83/82/31/350838231.db2.gz LLZVRCMKWVYZQQ-CYBMUJFWSA-N 2 2 222.307 2.311 10 0 BEAELP C[NH2+]C[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000725269154 538101487 /nfs/dbraw/zinc/10/14/87/538101487.db2.gz MNZCRXFRXRAZDS-LBPRGKRZSA-N 2 2 224.735 2.353 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638409535 352216852 /nfs/dbraw/zinc/21/68/52/352216852.db2.gz PCIJDHOGDYIAHN-BARDWOONSA-N 2 2 236.403 2.497 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638409535 352216854 /nfs/dbraw/zinc/21/68/54/352216854.db2.gz PCIJDHOGDYIAHN-BARDWOONSA-N 2 2 236.403 2.497 10 0 BEAELP C/C=C/C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000307433442 353076808 /nfs/dbraw/zinc/07/68/08/353076808.db2.gz NZDIURAFJNIMEO-FAAWYNLUSA-N 2 2 230.355 2.427 10 0 BEAELP C/C=C/C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000307433442 353076811 /nfs/dbraw/zinc/07/68/11/353076811.db2.gz NZDIURAFJNIMEO-FAAWYNLUSA-N 2 2 230.355 2.427 10 0 BEAELP C[C@H]1[NH2+]CCC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000307727980 353115021 /nfs/dbraw/zinc/11/50/21/353115021.db2.gz GJQFDJZYVCMCTD-TZMCWYRMSA-N 2 2 218.344 2.259 10 0 BEAELP C[C@H]1[NH2+]CCC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000307727980 353115025 /nfs/dbraw/zinc/11/50/25/353115025.db2.gz GJQFDJZYVCMCTD-TZMCWYRMSA-N 2 2 218.344 2.259 10 0 BEAELP C([C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+]1CCCC1 ZINC000020071412 188005777 /nfs/dbraw/zinc/00/57/77/188005777.db2.gz LNFANOHIGWJPNC-XQQFMLRXSA-N 2 2 208.349 2.003 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+]CCCC(C)C)C1 ZINC000336761609 353173900 /nfs/dbraw/zinc/17/39/00/353173900.db2.gz MTTKROQEMWVFGG-CYBMUJFWSA-N 2 2 212.381 2.497 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+]CCCC(C)C)C1 ZINC000336761609 353173904 /nfs/dbraw/zinc/17/39/04/353173904.db2.gz MTTKROQEMWVFGG-CYBMUJFWSA-N 2 2 212.381 2.497 10 0 BEAELP CC(C)C[C@](C)(C[NH3+])[N@H+](C)Cc1cccnc1 ZINC000036770999 188285900 /nfs/dbraw/zinc/28/59/00/188285900.db2.gz SVHRAVYVAVSJBR-CQSZACIVSA-N 2 2 235.375 2.277 10 0 BEAELP CC(C)C[C@](C)(C[NH3+])[N@@H+](C)Cc1cccnc1 ZINC000036770999 188285901 /nfs/dbraw/zinc/28/59/01/188285901.db2.gz SVHRAVYVAVSJBR-CQSZACIVSA-N 2 2 235.375 2.277 10 0 BEAELP Cc1ccc2oc([C@H]([NH3+])Cc3c[nH+]c[nH]3)nc2c1 ZINC000037746436 188288707 /nfs/dbraw/zinc/28/87/07/188288707.db2.gz FLVNTJJXWODRMY-SNVBAGLBSA-N 2 2 242.282 2.102 10 0 BEAELP CCCCOCC[N@@H+]1CCC[C@@H]1C[NH2+]C(C)C ZINC000053649068 188300697 /nfs/dbraw/zinc/30/06/97/188300697.db2.gz XCXAQVFEPOIQIW-CQSZACIVSA-N 2 2 242.407 2.266 10 0 BEAELP CCCCOCC[N@H+]1CCC[C@@H]1C[NH2+]C(C)C ZINC000053649068 188300698 /nfs/dbraw/zinc/30/06/98/188300698.db2.gz XCXAQVFEPOIQIW-CQSZACIVSA-N 2 2 242.407 2.266 10 0 BEAELP CC(C)COc1ccc([C@H](C[NH3+])[NH+](C)C)cc1 ZINC000071547430 188306463 /nfs/dbraw/zinc/30/64/63/188306463.db2.gz NWGBFPFSUFXIAM-AWEZNQCLSA-N 2 2 236.359 2.283 10 0 BEAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000022220242 188355884 /nfs/dbraw/zinc/35/58/84/188355884.db2.gz YDRJUYBGYITTBH-GFCCVEGCSA-N 2 2 210.296 2.166 10 0 BEAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000022220242 188355885 /nfs/dbraw/zinc/35/58/85/188355885.db2.gz YDRJUYBGYITTBH-GFCCVEGCSA-N 2 2 210.296 2.166 10 0 BEAELP c1cc2cc(C[NH2+][C@H]3CC[NH2+]C3)ccc2s1 ZINC000335222544 355063406 /nfs/dbraw/zinc/06/34/06/355063406.db2.gz IDQDCNCSSBFVMU-LBPRGKRZSA-N 2 2 232.352 2.353 10 0 BEAELP CCC[NH+](CCC)CC12CCC(CC1)[NH2+]2 ZINC000675056022 538477010 /nfs/dbraw/zinc/47/70/10/538477010.db2.gz IFRLPEAAJSWBTR-UHFFFAOYSA-N 2 2 210.365 2.393 10 0 BEAELP CC1(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000390449767 357093631 /nfs/dbraw/zinc/09/36/31/357093631.db2.gz ZDIGBASLAHOGSC-LLVKDONJSA-N 2 2 219.332 2.150 10 0 BEAELP CCC1(C)CC[NH+]([C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC000685948676 538891238 /nfs/dbraw/zinc/89/12/38/538891238.db2.gz SVDTUHWELQOJEN-RYUDHWBXSA-N 2 2 228.355 2.199 10 0 BEAELP CC(C)C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000051489975 358752675 /nfs/dbraw/zinc/75/26/75/358752675.db2.gz OHIIMZZVTNEGSN-UHFFFAOYSA-N 2 2 230.315 2.013 10 0 BEAELP CC(C)[C@H]([NH3+])CCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000133613499 358761779 /nfs/dbraw/zinc/76/17/79/358761779.db2.gz IOMRXZZWRFPCPJ-LLVKDONJSA-N 2 2 246.358 2.373 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1csc(C)c1 ZINC000306221333 359346270 /nfs/dbraw/zinc/34/62/70/359346270.db2.gz JKFHHVGGLYFXIV-GHMZBOCLSA-N 2 2 210.346 2.151 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH3+])[C@H]1c1csc(C)c1 ZINC000306221333 359346276 /nfs/dbraw/zinc/34/62/76/359346276.db2.gz JKFHHVGGLYFXIV-GHMZBOCLSA-N 2 2 210.346 2.151 10 0 BEAELP CC[N@H+]1C[C@H](Nc2cc(C)cc[nH+]2)[C@@H](C)C1 ZINC000309668620 491154252 /nfs/dbraw/zinc/15/42/52/491154252.db2.gz VEPFCSGTWUEDRY-RYUDHWBXSA-N 2 2 219.332 2.142 10 0 BEAELP CC[N@@H+]1C[C@H](Nc2cc(C)cc[nH+]2)[C@@H](C)C1 ZINC000309668620 491154253 /nfs/dbraw/zinc/15/42/53/491154253.db2.gz VEPFCSGTWUEDRY-RYUDHWBXSA-N 2 2 219.332 2.142 10 0 BEAELP [NH3+][C@@H]1CCCCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000630550499 364243964 /nfs/dbraw/zinc/24/39/64/364243964.db2.gz ROVZVPPGNVOLOE-LLVKDONJSA-N 2 2 244.342 2.271 10 0 BEAELP C[C@H]1CN(c2[nH+]ccc3ccccc32)C[C@@H]1C[NH3+] ZINC000630554555 364250811 /nfs/dbraw/zinc/25/08/11/364250811.db2.gz QJERJEYWHMVQFK-AAEUAGOBSA-N 2 2 241.338 2.266 10 0 BEAELP [NH3+]CC1([N@@H+]2CCc3sccc3C2)CCCC1 ZINC000019433774 181359917 /nfs/dbraw/zinc/35/99/17/181359917.db2.gz MTHNUOYJYUNEBN-UHFFFAOYSA-N 2 2 236.384 2.378 10 0 BEAELP [NH3+]CC1([N@H+]2CCc3sccc3C2)CCCC1 ZINC000019433774 181359918 /nfs/dbraw/zinc/35/99/18/181359918.db2.gz MTHNUOYJYUNEBN-UHFFFAOYSA-N 2 2 236.384 2.378 10 0 BEAELP [NH3+]CCCc1[nH]cc(-c2cccs2)[nH+]1 ZINC000036876230 181387583 /nfs/dbraw/zinc/38/75/83/181387583.db2.gz XNGOBWMIECVCQH-UHFFFAOYSA-N 2 2 207.302 2.030 10 0 BEAELP [NH3+]CC[N@H+](Cc1cccnc1)C1CCCCC1 ZINC000076615607 181390582 /nfs/dbraw/zinc/39/05/82/181390582.db2.gz MAMVSTFYOBCDGA-UHFFFAOYSA-N 2 2 233.359 2.175 10 0 BEAELP [NH3+]CC[N@@H+](Cc1cccnc1)C1CCCCC1 ZINC000076615607 181390584 /nfs/dbraw/zinc/39/05/84/181390584.db2.gz MAMVSTFYOBCDGA-UHFFFAOYSA-N 2 2 233.359 2.175 10 0 BEAELP CCC[NH2+]Cc1nc(C[N@H+](C)CCC)cs1 ZINC000052444358 541514616 /nfs/dbraw/zinc/51/46/16/541514616.db2.gz UBMORVRMDBXBIB-UHFFFAOYSA-N 2 2 241.404 2.485 10 0 BEAELP CCC[NH2+]Cc1nc(C[N@@H+](C)CCC)cs1 ZINC000052444358 541514619 /nfs/dbraw/zinc/51/46/19/541514619.db2.gz UBMORVRMDBXBIB-UHFFFAOYSA-N 2 2 241.404 2.485 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384878336 367749051 /nfs/dbraw/zinc/74/90/51/367749051.db2.gz JKFRKXIOPKTKES-IGQOVBAYSA-N 2 2 242.407 2.118 10 0 BEAELP [NH3+]CC[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000132276766 371783576 /nfs/dbraw/zinc/78/35/76/371783576.db2.gz FIUDPGLCOSRHJK-QMMMGPOBSA-N 2 2 230.764 2.327 10 0 BEAELP C[C@@H](C[NH3+])[N@@H+]1CCc2sccc2[C@@H]1C ZINC000042744045 374285944 /nfs/dbraw/zinc/28/59/44/374285944.db2.gz IWBFHRBBYDXTBC-IUCAKERBSA-N 2 2 210.346 2.014 10 0 BEAELP C[C@@H](C[NH3+])[N@H+]1CCc2sccc2[C@@H]1C ZINC000042744045 374285947 /nfs/dbraw/zinc/28/59/47/374285947.db2.gz IWBFHRBBYDXTBC-IUCAKERBSA-N 2 2 210.346 2.014 10 0 BEAELP CCCC[C@H]([NH3+])C[N@H+](C)CCc1ccccn1 ZINC000037620740 169009041 /nfs/dbraw/zinc/00/90/41/169009041.db2.gz JFCWWQVCPDPDCF-ZDUSSCGKSA-N 2 2 235.375 2.073 10 0 BEAELP CCCC[C@H]([NH3+])C[N@@H+](C)CCc1ccccn1 ZINC000037620740 169009044 /nfs/dbraw/zinc/00/90/44/169009044.db2.gz JFCWWQVCPDPDCF-ZDUSSCGKSA-N 2 2 235.375 2.073 10 0 BEAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccncc1 ZINC000032021422 169150242 /nfs/dbraw/zinc/15/02/42/169150242.db2.gz NTDMTUMWNSQCFW-ZDUSSCGKSA-N 2 2 221.348 2.203 10 0 BEAELP CCC[N@H+](Cc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000082500415 169178982 /nfs/dbraw/zinc/17/89/82/169178982.db2.gz STMYMMKOPRAAJP-GFCCVEGCSA-N 2 2 222.332 2.244 10 0 BEAELP CCC[N@@H+](Cc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000082500415 169178985 /nfs/dbraw/zinc/17/89/85/169178985.db2.gz STMYMMKOPRAAJP-GFCCVEGCSA-N 2 2 222.332 2.244 10 0 BEAELP CCC[NH2+]C[C@H](CC)[N@H+](C)CCc1ccccn1 ZINC000052423778 169263575 /nfs/dbraw/zinc/26/35/75/169263575.db2.gz WIYOHUCRQRFATC-HNNXBMFYSA-N 2 2 249.402 2.334 10 0 BEAELP CCC[NH2+]C[C@H](CC)[N@@H+](C)CCc1ccccn1 ZINC000052423778 169263577 /nfs/dbraw/zinc/26/35/77/169263577.db2.gz WIYOHUCRQRFATC-HNNXBMFYSA-N 2 2 249.402 2.334 10 0 BEAELP c1ccc(C[N@@H+]2CCCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000076677771 183396297 /nfs/dbraw/zinc/39/62/97/183396297.db2.gz MVQSUYJXDXHSTL-CABCVRRESA-N 2 2 230.355 2.403 10 0 BEAELP c1ccc(C[N@H+]2CCCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000076677771 183396301 /nfs/dbraw/zinc/39/63/01/183396301.db2.gz MVQSUYJXDXHSTL-CABCVRRESA-N 2 2 230.355 2.403 10 0 BEAELP c1ccc(C[N@@H+]2CCC[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000076677930 183398699 /nfs/dbraw/zinc/39/86/99/183398699.db2.gz DOPZYHRIMKUAGC-CABCVRRESA-N 2 2 230.355 2.261 10 0 BEAELP c1ccc(C[N@H+]2CCC[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000076677930 183398701 /nfs/dbraw/zinc/39/87/01/183398701.db2.gz DOPZYHRIMKUAGC-CABCVRRESA-N 2 2 230.355 2.261 10 0 BEAELP c1ccc(C[N@@H+]2CCC[C@@H]3CC[NH2+]C[C@H]32)cc1 ZINC000082353714 183398947 /nfs/dbraw/zinc/39/89/47/183398947.db2.gz DOPZYHRIMKUAGC-HUUCEWRRSA-N 2 2 230.355 2.261 10 0 BEAELP c1ccc(C[N@H+]2CCC[C@@H]3CC[NH2+]C[C@H]32)cc1 ZINC000082353714 183398948 /nfs/dbraw/zinc/39/89/48/183398948.db2.gz DOPZYHRIMKUAGC-HUUCEWRRSA-N 2 2 230.355 2.261 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)Cc2ccco2)C1 ZINC000042590218 169283394 /nfs/dbraw/zinc/28/33/94/169283394.db2.gz AWLRDGLEZBKOCP-QWHCGFSZSA-N 2 2 236.359 2.285 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)Cc2ccco2)C1 ZINC000042590218 169283397 /nfs/dbraw/zinc/28/33/97/169283397.db2.gz AWLRDGLEZBKOCP-QWHCGFSZSA-N 2 2 236.359 2.285 10 0 BEAELP CCCO[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000062948874 169311438 /nfs/dbraw/zinc/31/14/38/169311438.db2.gz XPGCWLXBFQZICV-BFHYXJOUSA-N 2 2 240.391 2.018 10 0 BEAELP CCCO[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000062948874 169311439 /nfs/dbraw/zinc/31/14/39/169311439.db2.gz XPGCWLXBFQZICV-BFHYXJOUSA-N 2 2 240.391 2.018 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037156837 169359801 /nfs/dbraw/zinc/35/98/01/169359801.db2.gz LMELOVQSELIKJT-NEPJUHHUSA-N 2 2 209.337 2.297 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336750781 169360902 /nfs/dbraw/zinc/36/09/02/169360902.db2.gz ZUJSOYFZAVYTEP-MNOVXSKESA-N 2 2 221.348 2.293 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336750781 169360903 /nfs/dbraw/zinc/36/09/03/169360903.db2.gz ZUJSOYFZAVYTEP-MNOVXSKESA-N 2 2 221.348 2.293 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000040502509 169360961 /nfs/dbraw/zinc/36/09/61/169360961.db2.gz XVLQHBMVDIJLFA-OLZOCXBDSA-N 2 2 212.381 2.497 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000040502509 169360963 /nfs/dbraw/zinc/36/09/63/169360963.db2.gz XVLQHBMVDIJLFA-OLZOCXBDSA-N 2 2 212.381 2.497 10 0 BEAELP CN(C[C@H]1CCCC[NH2+]1)c1[nH]c2ccccc2[nH+]1 ZINC000095070841 384338596 /nfs/dbraw/zinc/33/85/96/384338596.db2.gz KJFJNOULPOCHIS-LLVKDONJSA-N 2 2 244.342 2.141 10 0 BEAELP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000095072298 384343376 /nfs/dbraw/zinc/34/33/76/384343376.db2.gz FGJWOBDSUVQGJH-BDAKNGLRSA-N 2 2 245.779 2.156 10 0 BEAELP CC(C)[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000159088574 384348389 /nfs/dbraw/zinc/34/83/89/384348389.db2.gz LRLRTSWPZXUMIZ-AGIUHOORSA-N 2 2 212.381 2.349 10 0 BEAELP CC(C)[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000159088574 384348396 /nfs/dbraw/zinc/34/83/96/384348396.db2.gz LRLRTSWPZXUMIZ-AGIUHOORSA-N 2 2 212.381 2.349 10 0 BEAELP CCC[C@H](C)C[NH2+]CC[NH+]1CCCCC1 ZINC000049574615 384551547 /nfs/dbraw/zinc/55/15/47/384551547.db2.gz HFNLPCSLCUZDRI-ZDUSSCGKSA-N 2 2 212.381 2.498 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000398115149 384807368 /nfs/dbraw/zinc/80/73/68/384807368.db2.gz YTJUZXSXDNOCFN-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000398115149 384807371 /nfs/dbraw/zinc/80/73/71/384807371.db2.gz YTJUZXSXDNOCFN-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP CC(C)(C)CC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000365615653 384907491 /nfs/dbraw/zinc/90/74/91/384907491.db2.gz YZNBVBYUBUFUNR-SNVBAGLBSA-N 2 2 221.348 2.293 10 0 BEAELP CC(C)(C)CC[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000365615653 384907506 /nfs/dbraw/zinc/90/75/06/384907506.db2.gz YZNBVBYUBUFUNR-SNVBAGLBSA-N 2 2 221.348 2.293 10 0 BEAELP Cc1cc[nH+]cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128038489 384981846 /nfs/dbraw/zinc/98/18/46/384981846.db2.gz FBPKKIOGQGLNBJ-CHWSQXEVSA-N 2 2 231.343 2.429 10 0 BEAELP Cc1cc[nH+]cc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128038489 384981853 /nfs/dbraw/zinc/98/18/53/384981853.db2.gz FBPKKIOGQGLNBJ-CHWSQXEVSA-N 2 2 231.343 2.429 10 0 BEAELP C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000034663903 385289617 /nfs/dbraw/zinc/28/96/17/385289617.db2.gz OLTBMNIDDCGCAV-SECBINFHSA-N 2 2 219.263 2.292 10 0 BEAELP C[C@H]1CN(c2[nH+]ccc3ccccc32)CC[C@@H]1[NH3+] ZINC000168735930 385384523 /nfs/dbraw/zinc/38/45/23/385384523.db2.gz LKWJWZVEVOQPMU-FZMZJTMJSA-N 2 2 241.338 2.408 10 0 BEAELP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309335018 385534154 /nfs/dbraw/zinc/53/41/54/385534154.db2.gz IUWLNTUSETVYNW-CHWSQXEVSA-N 2 2 230.371 2.445 10 0 BEAELP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309335018 385534157 /nfs/dbraw/zinc/53/41/57/385534157.db2.gz IUWLNTUSETVYNW-CHWSQXEVSA-N 2 2 230.371 2.445 10 0 BEAELP CCCc1[nH+]c2ccccc2n1CCC[NH3+] ZINC000057798946 385650835 /nfs/dbraw/zinc/65/08/35/385650835.db2.gz QWISRUHYZXWNBG-UHFFFAOYSA-N 2 2 217.316 2.338 10 0 BEAELP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336782298 386628026 /nfs/dbraw/zinc/62/80/26/386628026.db2.gz XEZSSLDFOGGOPB-CHWSQXEVSA-N 2 2 230.371 2.446 10 0 BEAELP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC)C1)C1CCC1 ZINC000324882961 386679086 /nfs/dbraw/zinc/67/90/86/386679086.db2.gz DUIHIFDPPCDISI-QWHCGFSZSA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC)C1)C1CCC1 ZINC000324882961 386679094 /nfs/dbraw/zinc/67/90/94/386679094.db2.gz DUIHIFDPPCDISI-QWHCGFSZSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000396589031 386779071 /nfs/dbraw/zinc/77/90/71/386779071.db2.gz SLMLYLKXUWLUMH-OBJOEFQTSA-N 2 2 218.344 2.478 10 0 BEAELP C[NH2+][C@H]1CCC[N@@H+]([C@H](C)c2cccs2)C1 ZINC000053201184 387532368 /nfs/dbraw/zinc/53/23/68/387532368.db2.gz ZNEGBTJZMXSFAT-MNOVXSKESA-N 2 2 224.373 2.493 10 0 BEAELP C[NH2+][C@H]1CCC[N@H+]([C@H](C)c2cccs2)C1 ZINC000053201184 387532374 /nfs/dbraw/zinc/53/23/74/387532374.db2.gz ZNEGBTJZMXSFAT-MNOVXSKESA-N 2 2 224.373 2.493 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CSC[C@H]1C ZINC000304555652 387492996 /nfs/dbraw/zinc/49/29/96/387492996.db2.gz VCTTVTUUBPDLPU-UPJWGTAASA-N 2 2 244.448 2.304 10 0 BEAELP COC[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C(C)C ZINC000126354664 387680848 /nfs/dbraw/zinc/68/08/48/387680848.db2.gz YRUFFUJZWDHKAW-KBPBESRZSA-N 2 2 244.423 2.223 10 0 BEAELP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cc(F)ccc1F ZINC000643458843 387829252 /nfs/dbraw/zinc/82/92/52/387829252.db2.gz XCBBAJBERKIRRI-DTWKUNHWSA-N 2 2 240.297 2.223 10 0 BEAELP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cc(F)ccc1F ZINC000643458844 387829626 /nfs/dbraw/zinc/82/96/26/387829626.db2.gz XCBBAJBERKIRRI-IUCAKERBSA-N 2 2 240.297 2.223 10 0 BEAELP C[NH2+][C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000036460133 387877903 /nfs/dbraw/zinc/87/79/03/387877903.db2.gz URJHONVAMMIWCR-AWEZNQCLSA-N 2 2 218.344 2.261 10 0 BEAELP C[NH2+][C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000036460133 387877908 /nfs/dbraw/zinc/87/79/08/387877908.db2.gz URJHONVAMMIWCR-AWEZNQCLSA-N 2 2 218.344 2.261 10 0 BEAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396634953 387926202 /nfs/dbraw/zinc/92/62/02/387926202.db2.gz KCSMBQDUQCVQRJ-YWPYICTPSA-N 2 2 248.370 2.486 10 0 BEAELP Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c(C)[nH+]1 ZINC000335597203 388451374 /nfs/dbraw/zinc/45/13/74/388451374.db2.gz PDEZRVGDWLNRTR-PWSUYJOCSA-N 2 2 247.342 2.025 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)[C@@H]1CC1(C)C ZINC000397599339 388482038 /nfs/dbraw/zinc/48/20/38/388482038.db2.gz LIMHIMMGZGTYIM-AGIUHOORSA-N 2 2 224.392 2.495 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)[C@@H]1CC1(C)C ZINC000397599339 388482041 /nfs/dbraw/zinc/48/20/41/388482041.db2.gz LIMHIMMGZGTYIM-AGIUHOORSA-N 2 2 224.392 2.495 10 0 BEAELP CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)[C@@H]1CC1(C)C ZINC000397599340 388482686 /nfs/dbraw/zinc/48/26/86/388482686.db2.gz LIMHIMMGZGTYIM-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)[C@@H]1CC1(C)C ZINC000397599340 388482689 /nfs/dbraw/zinc/48/26/89/388482689.db2.gz LIMHIMMGZGTYIM-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000397801854 388500185 /nfs/dbraw/zinc/50/01/85/388500185.db2.gz MRTONOGBCPYHPC-GRYCIOLGSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000397801854 388500188 /nfs/dbraw/zinc/50/01/88/388500188.db2.gz MRTONOGBCPYHPC-GRYCIOLGSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000246995684 388656629 /nfs/dbraw/zinc/65/66/29/388656629.db2.gz KJLAUFJWZIBWII-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000246995684 388656631 /nfs/dbraw/zinc/65/66/31/388656631.db2.gz KJLAUFJWZIBWII-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@H](C)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000129064591 388815042 /nfs/dbraw/zinc/81/50/42/388815042.db2.gz WUNMHMOMIAGRBW-RWMBFGLXSA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H](C)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000129064591 388815043 /nfs/dbraw/zinc/81/50/43/388815043.db2.gz WUNMHMOMIAGRBW-RWMBFGLXSA-N 2 2 212.381 2.351 10 0 BEAELP C([C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCCC1 ZINC000179297144 533375392 /nfs/dbraw/zinc/37/53/92/533375392.db2.gz PJXGNUDHEZDKJO-AWEZNQCLSA-N 2 2 222.376 2.489 10 0 BEAELP C([C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCCC1 ZINC000179297144 533375402 /nfs/dbraw/zinc/37/54/02/533375402.db2.gz PJXGNUDHEZDKJO-AWEZNQCLSA-N 2 2 222.376 2.489 10 0 BEAELP c1cc([NH+]2CCCCC2)ccc1NC1=[NH+]CCN1 ZINC000029133005 132334257 /nfs/dbraw/zinc/33/42/57/132334257.db2.gz AUUQHBKLKJSVFN-UHFFFAOYSA-N 2 2 244.342 2.048 10 0 BEAELP C[NH2+][C@H]1CCN(c2ccc([NH+](C)C)cc2)C[C@@H]1C ZINC000049711470 132357645 /nfs/dbraw/zinc/35/76/45/132357645.db2.gz LOKYWIBDDRIPSH-WFASDCNBSA-N 2 2 247.386 2.187 10 0 BEAELP C[C@H]1C[C@@H]([NH3+])CCN1c1ccc([NH+](C)C)cc1 ZINC000049711484 132357698 /nfs/dbraw/zinc/35/76/98/132357698.db2.gz QDBHHJFGTHCFNB-RYUDHWBXSA-N 2 2 233.359 2.069 10 0 BEAELP CC[C@@H]1CCCN(c2cc[nH+]c(C[NH3+])c2)C1 ZINC000051396977 132360283 /nfs/dbraw/zinc/36/02/83/132360283.db2.gz PEZNMLNJGDKOKU-LLVKDONJSA-N 2 2 219.332 2.167 10 0 BEAELP C[C@@H]1CCN(c2cc[nH+]c(C[NH3+])c2)[C@H](C)C1 ZINC000051748752 132361849 /nfs/dbraw/zinc/36/18/49/132361849.db2.gz ULCKDFGMISZHEM-GHMZBOCLSA-N 2 2 219.332 2.165 10 0 BEAELP C[C@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)C1)c1nccs1 ZINC000222737329 134333893 /nfs/dbraw/zinc/33/38/93/134333893.db2.gz FHBBMGDRTXSJGC-GARJFASQSA-N 2 2 239.388 2.276 10 0 BEAELP C[C@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000222741002 134334294 /nfs/dbraw/zinc/33/42/94/134334294.db2.gz IPOXUOZTSRRLTI-SDDRHHMPSA-N 2 2 222.332 2.413 10 0 BEAELP C[C@H](CC[NH3+])Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000134272779 134705943 /nfs/dbraw/zinc/70/59/43/134705943.db2.gz ZMMSBCVRMJIRQN-SSDOTTSWSA-N 2 2 233.237 2.250 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C)C1 ZINC000250189470 135050153 /nfs/dbraw/zinc/05/01/53/135050153.db2.gz ADNFHRWJRVBGCC-AVGNSLFASA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C)C1 ZINC000250189470 135050156 /nfs/dbraw/zinc/05/01/56/135050156.db2.gz ADNFHRWJRVBGCC-AVGNSLFASA-N 2 2 210.365 2.249 10 0 BEAELP Cc1ncsc1C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261534567 135167662 /nfs/dbraw/zinc/16/76/62/135167662.db2.gz SFDYCMUUPNBXLS-KOLCDFICSA-N 2 2 239.388 2.011 10 0 BEAELP Cc1ncsc1C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261534567 135167663 /nfs/dbraw/zinc/16/76/63/135167663.db2.gz SFDYCMUUPNBXLS-KOLCDFICSA-N 2 2 239.388 2.011 10 0 BEAELP Cc1ncsc1C[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261534569 135168143 /nfs/dbraw/zinc/16/81/43/135168143.db2.gz SFDYCMUUPNBXLS-ONGXEEELSA-N 2 2 239.388 2.011 10 0 BEAELP Cc1ncsc1C[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261534569 135168144 /nfs/dbraw/zinc/16/81/44/135168144.db2.gz SFDYCMUUPNBXLS-ONGXEEELSA-N 2 2 239.388 2.011 10 0 BEAELP CCCC[C@H](C[NH3+])Nc1cccc(C)[nH+]1 ZINC000087780211 135169162 /nfs/dbraw/zinc/16/91/62/135169162.db2.gz NVUQBSYTUKEHBC-LLVKDONJSA-N 2 2 207.321 2.319 10 0 BEAELP C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)[C@H](C[NH3+])C1 ZINC000261551201 135190340 /nfs/dbraw/zinc/19/03/40/135190340.db2.gz TXYVXAKFNXSJNV-MNOVXSKESA-N 2 2 244.342 2.127 10 0 BEAELP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000128938455 398099150 /nfs/dbraw/zinc/09/91/50/398099150.db2.gz BEYVFLZKNSLJGV-CHWSQXEVSA-N 2 2 221.348 2.394 10 0 BEAELP CC[C@@H](C)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000128938455 398099154 /nfs/dbraw/zinc/09/91/54/398099154.db2.gz BEYVFLZKNSLJGV-CHWSQXEVSA-N 2 2 221.348 2.394 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309687529 167027069 /nfs/dbraw/zinc/02/70/69/167027069.db2.gz OOQDWSHQSRQGRY-YPMHNXCESA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309687529 167027072 /nfs/dbraw/zinc/02/70/72/167027072.db2.gz OOQDWSHQSRQGRY-YPMHNXCESA-N 2 2 224.392 2.493 10 0 BEAELP C[NH2+]C(C)(C)C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000061319704 173319124 /nfs/dbraw/zinc/31/91/24/173319124.db2.gz IEAJRZSCLULCBV-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C(C)(C)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000061319704 173319125 /nfs/dbraw/zinc/31/91/25/173319125.db2.gz IEAJRZSCLULCBV-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000375680846 167105542 /nfs/dbraw/zinc/10/55/42/167105542.db2.gz VXMYPODXFZFAQR-CYBMUJFWSA-N 2 2 224.392 2.497 10 0 BEAELP CC(C)[NH2+]CC[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000375680846 167105545 /nfs/dbraw/zinc/10/55/45/167105545.db2.gz VXMYPODXFZFAQR-CYBMUJFWSA-N 2 2 224.392 2.497 10 0 BEAELP [NH3+]C[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000132071926 410582540 /nfs/dbraw/zinc/58/25/40/410582540.db2.gz FBSGCALDULAUQB-NSHDSACASA-N 2 2 227.311 2.020 10 0 BEAELP CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000651198457 410856836 /nfs/dbraw/zinc/85/68/36/410856836.db2.gz NTTCTQKLZMVWGM-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000651198457 410856842 /nfs/dbraw/zinc/85/68/42/410856842.db2.gz NTTCTQKLZMVWGM-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)C[NH2+][C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037106650 167014772 /nfs/dbraw/zinc/01/47/72/167014772.db2.gz UWKYPMBVWIMYBR-RYUDHWBXSA-N 2 2 207.321 2.222 10 0 BEAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309687528 167034306 /nfs/dbraw/zinc/03/43/06/167034306.db2.gz OOQDWSHQSRQGRY-WCQYABFASA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309687528 167034308 /nfs/dbraw/zinc/03/43/08/167034308.db2.gz OOQDWSHQSRQGRY-WCQYABFASA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[NH2+]CC[N@@H+]1CCCc2ccccc2C1 ZINC000062944566 167104972 /nfs/dbraw/zinc/10/49/72/167104972.db2.gz SBMVLBSFQFNWKY-UHFFFAOYSA-N 2 2 232.371 2.433 10 0 BEAELP CC(C)[NH2+]CC[N@H+]1CCCc2ccccc2C1 ZINC000062944566 167104974 /nfs/dbraw/zinc/10/49/74/167104974.db2.gz SBMVLBSFQFNWKY-UHFFFAOYSA-N 2 2 232.371 2.433 10 0 BEAELP CC(C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000052421138 167108947 /nfs/dbraw/zinc/10/89/47/167108947.db2.gz VDECZGOZQBBDNB-ZDUSSCGKSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)[C@@H](C)N(C)c1cc[nH+]c(C[NH3+])c1 ZINC000051396923 167371488 /nfs/dbraw/zinc/37/14/88/167371488.db2.gz RFBSQMTUZJIMKY-SNVBAGLBSA-N 2 2 207.321 2.021 10 0 BEAELP CC(C)[C@@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000309541179 167381553 /nfs/dbraw/zinc/38/15/53/167381553.db2.gz DVWQVXCHOOBLHI-VXGBXAGGSA-N 2 2 221.348 2.395 10 0 BEAELP CC1CCC([N@H+](C)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042487646 168159938 /nfs/dbraw/zinc/15/99/38/168159938.db2.gz ZHEDRJHOONJBHM-IFWUJCSASA-N 2 2 210.365 2.377 10 0 BEAELP CC1CCC([N@@H+](C)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042487646 168159940 /nfs/dbraw/zinc/15/99/40/168159940.db2.gz ZHEDRJHOONJBHM-IFWUJCSASA-N 2 2 210.365 2.377 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000328464202 170011989 /nfs/dbraw/zinc/01/19/89/170011989.db2.gz IOZYHDUGJQHWSX-QWHCGFSZSA-N 2 2 208.349 2.027 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000328464202 170011990 /nfs/dbraw/zinc/01/19/90/170011990.db2.gz IOZYHDUGJQHWSX-QWHCGFSZSA-N 2 2 208.349 2.027 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000328221132 170022840 /nfs/dbraw/zinc/02/28/40/170022840.db2.gz YNAFHMLVFUQQTA-RQJABVFESA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000328221132 170022841 /nfs/dbraw/zinc/02/28/41/170022841.db2.gz YNAFHMLVFUQQTA-RQJABVFESA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000336761689 170031310 /nfs/dbraw/zinc/03/13/10/170031310.db2.gz NBAPERNKSXZUFC-VXGBXAGGSA-N 2 2 210.365 2.106 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000336761689 170031311 /nfs/dbraw/zinc/03/13/11/170031311.db2.gz NBAPERNKSXZUFC-VXGBXAGGSA-N 2 2 210.365 2.106 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]C[C@@]2(C)CCCS2)[C@@H](C)C1 ZINC000309955238 170034964 /nfs/dbraw/zinc/03/49/64/170034964.db2.gz IANZHFOYQPBCCB-RWMBFGLXSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]C[C@@]2(C)CCCS2)[C@@H](C)C1 ZINC000309955238 170034966 /nfs/dbraw/zinc/03/49/66/170034966.db2.gz IANZHFOYQPBCCB-RWMBFGLXSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]C2CCCCC2)[C@@H](C)C1 ZINC000309055318 170035155 /nfs/dbraw/zinc/03/51/55/170035155.db2.gz UDIUNUBOGFKDCE-AAEUAGOBSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]C2CCCCC2)[C@@H](C)C1 ZINC000309055318 170035156 /nfs/dbraw/zinc/03/51/56/170035156.db2.gz UDIUNUBOGFKDCE-AAEUAGOBSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CC2CC2)[C@@H](C)C1 ZINC000309066132 170037617 /nfs/dbraw/zinc/03/76/17/170037617.db2.gz ZNKRKHLHGCFOGM-GVXVVHGQSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CC2CC2)[C@@H](C)C1 ZINC000309066132 170037618 /nfs/dbraw/zinc/03/76/18/170037618.db2.gz ZNKRKHLHGCFOGM-GVXVVHGQSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000309955239 170037998 /nfs/dbraw/zinc/03/79/98/170037998.db2.gz IANZHFOYQPBCCB-XQQFMLRXSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000309955239 170037999 /nfs/dbraw/zinc/03/79/99/170037999.db2.gz IANZHFOYQPBCCB-XQQFMLRXSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2sccc2C)C1 ZINC000309674589 170038228 /nfs/dbraw/zinc/03/82/28/170038228.db2.gz XGWXXPUGQIRWHZ-NWDGAFQWSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2sccc2C)C1 ZINC000309674589 170038229 /nfs/dbraw/zinc/03/82/29/170038229.db2.gz XGWXXPUGQIRWHZ-NWDGAFQWSA-N 2 2 238.400 2.486 10 0 BEAELP CC[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037242287 170108317 /nfs/dbraw/zinc/10/83/17/170108317.db2.gz MKUWWVWTVFZJJJ-UHFFFAOYSA-N 2 2 236.334 2.400 10 0 BEAELP CC[NH2+]C1CC[NH+]([C@H](C)c2ccco2)CC1 ZINC000035739390 170109769 /nfs/dbraw/zinc/10/97/69/170109769.db2.gz VMAVEIWXMANYTF-LLVKDONJSA-N 2 2 222.332 2.415 10 0 BEAELP CC[NH2+]CCc1[nH]c2cc(C)c(C)cc2[nH+]1 ZINC000051848050 170117907 /nfs/dbraw/zinc/11/79/07/170117907.db2.gz PZNDRQYBURTWDE-UHFFFAOYSA-N 2 2 217.316 2.332 10 0 BEAELP CC[NH2+][C@@H](C)[C@H](C)[NH+]1CCC(C)(C)CC1 ZINC000061819761 170140983 /nfs/dbraw/zinc/14/09/83/170140983.db2.gz WTRLLOAURGPWPF-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[NH2+][C@@H](C[N@@H+]1CCCO[C@H](C)C1)C(C)(C)C ZINC000061917339 170145279 /nfs/dbraw/zinc/14/52/79/170145279.db2.gz LWDYJXBUBPVVGB-OLZOCXBDSA-N 2 2 242.407 2.121 10 0 BEAELP CC[NH2+][C@@H](C[N@H+]1CCCO[C@H](C)C1)C(C)(C)C ZINC000061917339 170145280 /nfs/dbraw/zinc/14/52/80/170145280.db2.gz LWDYJXBUBPVVGB-OLZOCXBDSA-N 2 2 242.407 2.121 10 0 BEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1ccc(F)cc1 ZINC000035570346 170146605 /nfs/dbraw/zinc/14/66/05/170146605.db2.gz XPDAOSYEEHALQZ-ZDUSSCGKSA-N 2 2 247.317 2.312 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C[C@@H]1C ZINC000049712749 170152643 /nfs/dbraw/zinc/15/26/43/170152643.db2.gz HGTUJNGLGSFZLV-MELADBBJSA-N 2 2 247.386 2.463 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C[C@@H]1C ZINC000049712749 170152644 /nfs/dbraw/zinc/15/26/44/170152644.db2.gz HGTUJNGLGSFZLV-MELADBBJSA-N 2 2 247.386 2.463 10 0 BEAELP CC[NH2+][C@H](C)Cc1[nH]c2c(cccc2C)[nH+]1 ZINC000061181992 170158658 /nfs/dbraw/zinc/15/86/58/170158658.db2.gz DULGPIJATGCUMX-SNVBAGLBSA-N 2 2 217.316 2.412 10 0 BEAELP CC[NH2+][C@H]1CCCCC[C@H]1n1cc[nH+]c1 ZINC000043992905 170165561 /nfs/dbraw/zinc/16/55/61/170165561.db2.gz WNIQRWVHPINLPW-NWDGAFQWSA-N 2 2 207.321 2.366 10 0 BEAELP CC[NH2+][C@H]1CCC[C@H]1[NH+]1CCCCCC1 ZINC000043812172 170167205 /nfs/dbraw/zinc/16/72/05/170167205.db2.gz OKOOQYQBGZMTOQ-QWHCGFSZSA-N 2 2 210.365 2.393 10 0 BEAELP CCNc1cc(Cn2cc[nH+]c2C)cc[nH+]1 ZINC000052732168 170172931 /nfs/dbraw/zinc/17/29/31/170172931.db2.gz FMDDRBJIFIOFCG-UHFFFAOYSA-N 2 2 216.288 2.067 10 0 BEAELP [NH3+]C[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000132071725 411754868 /nfs/dbraw/zinc/75/48/68/411754868.db2.gz FBSGCALDULAUQB-LLVKDONJSA-N 2 2 227.311 2.020 10 0 BEAELP CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)CC[NH2+]1 ZINC000049662168 171014803 /nfs/dbraw/zinc/01/48/03/171014803.db2.gz LCYMWEPXGXHKHH-QWHCGFSZSA-N 2 2 233.359 2.217 10 0 BEAELP CC[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)CC[NH2+]1 ZINC000049662168 171014805 /nfs/dbraw/zinc/01/48/05/171014805.db2.gz LCYMWEPXGXHKHH-QWHCGFSZSA-N 2 2 233.359 2.217 10 0 BEAELP CC[C@@H]1C[N@@H+](C2(C[NH3+])CCC(C)CC2)CCO1 ZINC000036769534 171074038 /nfs/dbraw/zinc/07/40/38/171074038.db2.gz WZQWCHNFJZQIJM-ROKHWSDSSA-N 2 2 240.391 2.005 10 0 BEAELP CC[C@@H]1C[N@H+](C2(C[NH3+])CCC(C)CC2)CCO1 ZINC000036769534 171074040 /nfs/dbraw/zinc/07/40/40/171074040.db2.gz WZQWCHNFJZQIJM-ROKHWSDSSA-N 2 2 240.391 2.005 10 0 BEAELP CC[C@@](C)([NH3+])Cc1[nH+]cc(C)c(OC)c1C ZINC000053758157 171170973 /nfs/dbraw/zinc/17/09/73/171170973.db2.gz WAKAIWOMVTYWFG-CYBMUJFWSA-N 2 2 222.332 2.377 10 0 BEAELP CC[C@@]1(C[N@H+](C)Cc2ccco2)CCC[NH2+]C1 ZINC000062861998 171211197 /nfs/dbraw/zinc/21/11/97/171211197.db2.gz WYTNPEJKHGQMOM-CQSZACIVSA-N 2 2 236.359 2.491 10 0 BEAELP CC[C@@]1(C[N@@H+](C)Cc2ccco2)CCC[NH2+]C1 ZINC000062861998 171211199 /nfs/dbraw/zinc/21/11/99/171211199.db2.gz WYTNPEJKHGQMOM-CQSZACIVSA-N 2 2 236.359 2.491 10 0 BEAELP CC[C@H](C)C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000309696616 171285577 /nfs/dbraw/zinc/28/55/77/171285577.db2.gz LEDIEYPRUPFETC-NWDGAFQWSA-N 2 2 221.348 2.396 10 0 BEAELP CC[C@H](C)[N@H+](CC[NH3+])Cc1ccc(F)cc1 ZINC000032014860 171314294 /nfs/dbraw/zinc/31/42/94/171314294.db2.gz VOGFWHKKRUKZBW-NSHDSACASA-N 2 2 224.323 2.385 10 0 BEAELP CC[C@H](C)[N@@H+](CC[NH3+])Cc1ccc(F)cc1 ZINC000032014860 171314295 /nfs/dbraw/zinc/31/42/95/171314295.db2.gz VOGFWHKKRUKZBW-NSHDSACASA-N 2 2 224.323 2.385 10 0 BEAELP CC[C@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000309169680 171341196 /nfs/dbraw/zinc/34/11/96/171341196.db2.gz KTIFPECTBSHASN-QWRGUYRKSA-N 2 2 207.321 2.149 10 0 BEAELP CC[C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037166984 171348110 /nfs/dbraw/zinc/34/81/10/171348110.db2.gz SKBSNWBPKVXLIG-NWDGAFQWSA-N 2 2 200.370 2.351 10 0 BEAELP CC[C@H](C)[C@H]([NH3+])C[NH+]1Cc2ccccc2C1 ZINC000050912656 171396706 /nfs/dbraw/zinc/39/67/06/171396706.db2.gz UAVYIKWJJSDFOC-SMDDNHRTSA-N 2 2 218.344 2.376 10 0 BEAELP CCn1c2ccc(C)cc2[nH+]c1C[C@H](C)[NH3+] ZINC000037438061 172144274 /nfs/dbraw/zinc/14/42/74/172144274.db2.gz CWALMLPCELNYPV-JTQLQIEISA-N 2 2 217.316 2.254 10 0 BEAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC000044562812 173004294 /nfs/dbraw/zinc/00/42/94/173004294.db2.gz ZBNZGKJHXGVSOP-CYBMUJFWSA-N 2 2 210.365 2.251 10 0 BEAELP C[N@H+]1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC000044562812 173004297 /nfs/dbraw/zinc/00/42/97/173004297.db2.gz ZBNZGKJHXGVSOP-CYBMUJFWSA-N 2 2 210.365 2.251 10 0 BEAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000336722947 173034897 /nfs/dbraw/zinc/03/48/97/173034897.db2.gz ALQNFPTUEQUAKQ-XQQFMLRXSA-N 2 2 228.355 2.199 10 0 BEAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000336722947 173034899 /nfs/dbraw/zinc/03/48/99/173034899.db2.gz ALQNFPTUEQUAKQ-XQQFMLRXSA-N 2 2 228.355 2.199 10 0 BEAELP C[NH2+]C(C)(C)C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000061319749 173319131 /nfs/dbraw/zinc/31/91/31/173319131.db2.gz KXWAYMHUBREZGN-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C(C)(C)C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000061319749 173319132 /nfs/dbraw/zinc/31/91/32/173319132.db2.gz KXWAYMHUBREZGN-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C(C)(C)C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000061319702 173319177 /nfs/dbraw/zinc/31/91/77/173319177.db2.gz IEAJRZSCLULCBV-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C(C)(C)C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000061319702 173319179 /nfs/dbraw/zinc/31/91/79/173319179.db2.gz IEAJRZSCLULCBV-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C(C)(C)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000061319752 173319317 /nfs/dbraw/zinc/31/93/17/173319317.db2.gz KXWAYMHUBREZGN-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C(C)(C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000061319752 173319319 /nfs/dbraw/zinc/31/93/19/173319319.db2.gz KXWAYMHUBREZGN-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C1(c2nc(C(C)C)cs2)CC[NH2+]CC1 ZINC000041060750 173321888 /nfs/dbraw/zinc/32/18/88/173321888.db2.gz JXWDIAGWRSGICV-UHFFFAOYSA-N 2 2 239.388 2.065 10 0 BEAELP C[NH2+]CC[N@H+](C)CCc1c(C)[nH]c2ccccc21 ZINC000077400206 173352666 /nfs/dbraw/zinc/35/26/66/173352666.db2.gz VVSGRMXTSBSROR-UHFFFAOYSA-N 2 2 245.370 2.170 10 0 BEAELP C[NH2+]CC[N@@H+](C)CCc1c(C)[nH]c2ccccc21 ZINC000077400206 173352668 /nfs/dbraw/zinc/35/26/68/173352668.db2.gz VVSGRMXTSBSROR-UHFFFAOYSA-N 2 2 245.370 2.170 10 0 BEAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1 ZINC000043458243 173366622 /nfs/dbraw/zinc/36/66/22/173366622.db2.gz FODKTDRLLIEVLP-AWEZNQCLSA-N 2 2 248.370 2.139 10 0 BEAELP C[NH2+]C[C@@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC000043458243 173366624 /nfs/dbraw/zinc/36/66/24/173366624.db2.gz FODKTDRLLIEVLP-AWEZNQCLSA-N 2 2 248.370 2.139 10 0 BEAELP C[NH2+]C[C@H](C)n1c(C)[nH+]c2ccccc21 ZINC000053524192 173376236 /nfs/dbraw/zinc/37/62/36/173376236.db2.gz IDHRTTYDOYXJPQ-VIFPVBQESA-N 2 2 203.289 2.125 10 0 BEAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(C)cc1 ZINC000035504235 173426343 /nfs/dbraw/zinc/42/63/43/173426343.db2.gz NGQGXVLCGJOBKD-LBPRGKRZSA-N 2 2 215.300 2.221 10 0 BEAELP COC1CC[NH+]([C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000042901178 174031052 /nfs/dbraw/zinc/03/10/52/174031052.db2.gz FHQLPXSPCLINBR-SWLSCSKDSA-N 2 2 248.370 2.186 10 0 BEAELP COC1CC[NH+]([C@]2(C[NH3+])CCCC[C@H]2C)CC1 ZINC000037265949 174032457 /nfs/dbraw/zinc/03/24/57/174032457.db2.gz XJSYQIDRUAJWIR-OCCSQVGLSA-N 2 2 240.391 2.005 10 0 BEAELP COc1ccc([NH2+]CC[C@@H](C)C[NH3+])cc1 ZINC000049814312 175150348 /nfs/dbraw/zinc/15/03/48/175150348.db2.gz AIIJHRYWXOKICH-SNVBAGLBSA-N 2 2 208.305 2.092 10 0 BEAELP COc1ccc([C@H]([NH3+])[C@H](C)n2cc[nH+]c2)cc1 ZINC000023069219 175191729 /nfs/dbraw/zinc/19/17/29/175191729.db2.gz MNSMZEBWLTZVCR-GXFFZTMASA-N 2 2 231.299 2.153 10 0 BEAELP COc1ccc2c(c1)CC[C@@H](n1cc[nH+]c1)[C@H]2[NH3+] ZINC000019264110 175209654 /nfs/dbraw/zinc/20/96/54/175209654.db2.gz ZXNARMDEXQMJAQ-KGLIPLIRSA-N 2 2 243.310 2.079 10 0 BEAELP COc1cccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000234978544 175260395 /nfs/dbraw/zinc/26/03/95/175260395.db2.gz ZFGDCWQLGNSFSP-TZMCWYRMSA-N 2 2 248.370 2.254 10 0 BEAELP COc1cccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000234978544 175260396 /nfs/dbraw/zinc/26/03/96/175260396.db2.gz ZFGDCWQLGNSFSP-TZMCWYRMSA-N 2 2 248.370 2.254 10 0 BEAELP COc1ccccc1C[N@H+](CC[NH3+])C1CCCC1 ZINC000032103936 175326040 /nfs/dbraw/zinc/32/60/40/175326040.db2.gz PRBSVJYOLJDBPW-UHFFFAOYSA-N 2 2 248.370 2.399 10 0 BEAELP COc1ccccc1C[N@@H+](CC[NH3+])C1CCCC1 ZINC000032103936 175326043 /nfs/dbraw/zinc/32/60/43/175326043.db2.gz PRBSVJYOLJDBPW-UHFFFAOYSA-N 2 2 248.370 2.399 10 0 BEAELP COc1ccccc1[C@@H](C[NH3+])[N@H+](C)C(C)C ZINC000022223697 175345967 /nfs/dbraw/zinc/34/59/67/175345967.db2.gz RTDCMYLVHJPCBK-GFCCVEGCSA-N 2 2 222.332 2.035 10 0 BEAELP COc1ccccc1[C@@H](C[NH3+])[N@@H+](C)C(C)C ZINC000022223697 175345968 /nfs/dbraw/zinc/34/59/68/175345968.db2.gz RTDCMYLVHJPCBK-GFCCVEGCSA-N 2 2 222.332 2.035 10 0 BEAELP C[C@@H](c1cccs1)[N@H+](C)C(C)(C)C[NH3+] ZINC000049726291 176033082 /nfs/dbraw/zinc/03/30/82/176033082.db2.gz IJYBUTIKJXWVDA-VIFPVBQESA-N 2 2 212.362 2.478 10 0 BEAELP C[C@@H](c1cccs1)[N@@H+](C)C(C)(C)C[NH3+] ZINC000049726291 176033084 /nfs/dbraw/zinc/03/30/84/176033084.db2.gz IJYBUTIKJXWVDA-VIFPVBQESA-N 2 2 212.362 2.478 10 0 BEAELP C[C@@H](c1ccsc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022110423 176035385 /nfs/dbraw/zinc/03/53/85/176035385.db2.gz DXAWFDYTCDIDFS-JTQLQIEISA-N 2 2 210.346 2.104 10 0 BEAELP C[C@@H](c1ccsc1)[N@H+]1CCC[NH2+]CC1 ZINC000022110423 176035386 /nfs/dbraw/zinc/03/53/86/176035386.db2.gz DXAWFDYTCDIDFS-JTQLQIEISA-N 2 2 210.346 2.104 10 0 BEAELP C[C@@H](c1nccs1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068228 176039617 /nfs/dbraw/zinc/03/96/17/176039617.db2.gz PRAXBTLRTGCXAK-WDEREUQCSA-N 2 2 239.388 2.136 10 0 BEAELP C[C@@H](c1nccs1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068228 176039620 /nfs/dbraw/zinc/03/96/20/176039620.db2.gz PRAXBTLRTGCXAK-WDEREUQCSA-N 2 2 239.388 2.136 10 0 BEAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccco1 ZINC000019258442 176075182 /nfs/dbraw/zinc/07/51/82/176075182.db2.gz UCKUHYFJNRMIHE-MNOVXSKESA-N 2 2 208.305 2.154 10 0 BEAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccco1 ZINC000019258442 176075184 /nfs/dbraw/zinc/07/51/84/176075184.db2.gz UCKUHYFJNRMIHE-MNOVXSKESA-N 2 2 208.305 2.154 10 0 BEAELP C[C@@H]1CCCC[C@]1(C[NH3+])[N@H+](C)Cc1ccccn1 ZINC000036777249 176090325 /nfs/dbraw/zinc/09/03/25/176090325.db2.gz LCWDEMFVTRXTJG-UKRRQHHQSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)Cc1ccccn1 ZINC000036777249 176090327 /nfs/dbraw/zinc/09/03/27/176090327.db2.gz LCWDEMFVTRXTJG-UKRRQHHQSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CCC[N@@H+](C2(C[NH3+])CCSCC2)[C@@H]1C ZINC000050563850 176097160 /nfs/dbraw/zinc/09/71/60/176097160.db2.gz GCDLMLISRCZMQU-VXGBXAGGSA-N 2 2 242.432 2.331 10 0 BEAELP C[C@@H]1CCC[N@H+](C2(C[NH3+])CCSCC2)[C@@H]1C ZINC000050563850 176097161 /nfs/dbraw/zinc/09/71/61/176097161.db2.gz GCDLMLISRCZMQU-VXGBXAGGSA-N 2 2 242.432 2.331 10 0 BEAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccsc2)C1 ZINC000022170221 176102634 /nfs/dbraw/zinc/10/26/34/176102634.db2.gz WMISBQCFSAKGPZ-PWSUYJOCSA-N 2 2 224.373 2.480 10 0 BEAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccsc2)C1 ZINC000022170221 176102636 /nfs/dbraw/zinc/10/26/36/176102636.db2.gz WMISBQCFSAKGPZ-PWSUYJOCSA-N 2 2 224.373 2.480 10 0 BEAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccccn2)[C@@H]1C ZINC000050563370 176103634 /nfs/dbraw/zinc/10/36/34/176103634.db2.gz RQQXXCADADSYNI-BZPMIXESSA-N 2 2 233.359 2.202 10 0 BEAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccccn2)[C@@H]1C ZINC000050563370 176103635 /nfs/dbraw/zinc/10/36/35/176103635.db2.gz RQQXXCADADSYNI-BZPMIXESSA-N 2 2 233.359 2.202 10 0 BEAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccco2)C1 ZINC000019260603 176103722 /nfs/dbraw/zinc/10/37/22/176103722.db2.gz JWZRFLWLNUNIKK-MNOVXSKESA-N 2 2 208.305 2.011 10 0 BEAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccco2)C1 ZINC000019260603 176103723 /nfs/dbraw/zinc/10/37/23/176103723.db2.gz JWZRFLWLNUNIKK-MNOVXSKESA-N 2 2 208.305 2.011 10 0 BEAELP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH+]3CCC2CC3)C1 ZINC000019946234 176124144 /nfs/dbraw/zinc/12/41/44/176124144.db2.gz QKXDVYJIQBTSKB-MRVWCRGKSA-N 2 2 222.376 2.249 10 0 BEAELP C[C@@H]1CC[N@H+](Cc2ccsc2)[C@@H](C[NH3+])C1 ZINC000235340089 176178183 /nfs/dbraw/zinc/17/81/83/176178183.db2.gz WUUKSFPUNMSPMU-ZYHUDNBSSA-N 2 2 224.373 2.307 10 0 BEAELP C[C@@H]1CC[N@@H+](Cc2ccsc2)[C@@H](C[NH3+])C1 ZINC000235340089 176178185 /nfs/dbraw/zinc/17/81/85/176178185.db2.gz WUUKSFPUNMSPMU-ZYHUDNBSSA-N 2 2 224.373 2.307 10 0 BEAELP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(F)cc1 ZINC000062611105 176185352 /nfs/dbraw/zinc/18/53/52/176185352.db2.gz CCDGZKINIHVQSJ-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(F)cc1 ZINC000062611105 176185353 /nfs/dbraw/zinc/18/53/53/176185353.db2.gz CCDGZKINIHVQSJ-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)Cc2cccnc2)C1 ZINC000036771147 176228448 /nfs/dbraw/zinc/22/84/48/176228448.db2.gz CKBBWFSSXCPBRV-KWCYVHTRSA-N 2 2 233.359 2.029 10 0 BEAELP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)Cc2cccnc2)C1 ZINC000036771147 176228449 /nfs/dbraw/zinc/22/84/49/176228449.db2.gz CKBBWFSSXCPBRV-KWCYVHTRSA-N 2 2 233.359 2.029 10 0 BEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000358003022 176274580 /nfs/dbraw/zinc/27/45/80/176274580.db2.gz IFQGRSBOCQIAND-UGFHNGPFSA-N 2 2 230.355 2.214 10 0 BEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000358003022 176274582 /nfs/dbraw/zinc/27/45/82/176274582.db2.gz IFQGRSBOCQIAND-UGFHNGPFSA-N 2 2 230.355 2.214 10 0 BEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000095829960 177039970 /nfs/dbraw/zinc/03/99/70/177039970.db2.gz BYDOZJQQICNGSG-KWCYVHTRSA-N 2 2 216.328 2.041 10 0 BEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000095829960 177039971 /nfs/dbraw/zinc/03/99/71/177039971.db2.gz BYDOZJQQICNGSG-KWCYVHTRSA-N 2 2 216.328 2.041 10 0 BEAELP C[C@H](c1ccsc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000050345197 177051301 /nfs/dbraw/zinc/05/13/01/177051301.db2.gz MAOQDTVHBUZJAM-KOLCDFICSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H](c1ccsc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000050345197 177051302 /nfs/dbraw/zinc/05/13/02/177051302.db2.gz MAOQDTVHBUZJAM-KOLCDFICSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H]1[C@@H](C)CCC[N@H+]1C1(C[NH3+])CCSCC1 ZINC000050563851 177096398 /nfs/dbraw/zinc/09/63/98/177096398.db2.gz GCDLMLISRCZMQU-NWDGAFQWSA-N 2 2 242.432 2.331 10 0 BEAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1(C[NH3+])CCSCC1 ZINC000050563851 177096399 /nfs/dbraw/zinc/09/63/99/177096399.db2.gz GCDLMLISRCZMQU-NWDGAFQWSA-N 2 2 242.432 2.331 10 0 BEAELP C[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)[C@@H]1C[NH3+] ZINC000070178400 177105279 /nfs/dbraw/zinc/10/52/79/177105279.db2.gz YJXVADPGWPLQJA-GXFFZTMASA-N 2 2 244.342 2.127 10 0 BEAELP C[C@@H]1CCC[C@H](C)C1[NH2+]CC[NH+]1CCCC1 ZINC000020126767 177113581 /nfs/dbraw/zinc/11/35/81/177113581.db2.gz ZCSBFTSDRFTJLR-PBWFPOADSA-N 2 2 224.392 2.497 10 0 BEAELP C[C@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2ccncc2)C1 ZINC000036775760 177143848 /nfs/dbraw/zinc/14/38/48/177143848.db2.gz FNNJJMGKKIYDQR-ZFWWWQNUSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2ccncc2)C1 ZINC000036775760 177143849 /nfs/dbraw/zinc/14/38/49/177143849.db2.gz FNNJJMGKKIYDQR-ZFWWWQNUSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1C[N@@H+]([C@@]2(C[NH3+])CCCC[C@@H]2C)[C@@H](C)CO1 ZINC000035783517 177275684 /nfs/dbraw/zinc/27/56/84/177275684.db2.gz ZRCYPUBLUWLPAR-XDQVBPFNSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@H]1C[N@H+]([C@@]2(C[NH3+])CCCC[C@@H]2C)[C@@H](C)CO1 ZINC000035783517 177275686 /nfs/dbraw/zinc/27/56/86/177275686.db2.gz ZRCYPUBLUWLPAR-XDQVBPFNSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@H]1C[C@@H]([NH2+]CC2(C)CCC2)C[N@@H+]1C1CC1 ZINC000120416387 177330628 /nfs/dbraw/zinc/33/06/28/177330628.db2.gz GUFYQJIFEHJQSN-NWDGAFQWSA-N 2 2 222.376 2.391 10 0 BEAELP C[C@H]1C[C@@H]([NH2+]CC2(C)CCC2)C[N@H+]1C1CC1 ZINC000120416387 177330630 /nfs/dbraw/zinc/33/06/30/177330630.db2.gz GUFYQJIFEHJQSN-NWDGAFQWSA-N 2 2 222.376 2.391 10 0 BEAELP C[C@H]1C[C@@H]1C[N@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000104428401 177342620 /nfs/dbraw/zinc/34/26/20/177342620.db2.gz XLUXKQHBEPTBAB-WDMOLILDSA-N 2 2 236.334 2.413 10 0 BEAELP C[C@H]1C[C@@H]1C[N@@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000104428401 177342621 /nfs/dbraw/zinc/34/26/21/177342621.db2.gz XLUXKQHBEPTBAB-WDMOLILDSA-N 2 2 236.334 2.413 10 0 BEAELP C[C@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000052272755 177349616 /nfs/dbraw/zinc/34/96/16/177349616.db2.gz RNOUNNWBIASXJT-CFVMTHIKSA-N 2 2 230.355 2.259 10 0 BEAELP C[C@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000052272755 177349617 /nfs/dbraw/zinc/34/96/17/177349617.db2.gz RNOUNNWBIASXJT-CFVMTHIKSA-N 2 2 230.355 2.259 10 0 BEAELP C[C@H]1C[C@H](C)C[NH+](Cc2csc(C[NH3+])n2)C1 ZINC000052420734 177359184 /nfs/dbraw/zinc/35/91/84/177359184.db2.gz CJMICXHDRQAMEA-UWVGGRQHSA-N 2 2 239.388 2.080 10 0 BEAELP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000050344426 487944630 /nfs/dbraw/zinc/94/46/30/487944630.db2.gz PSVSZUITJZZSOU-JQWIXIFHSA-N 2 2 224.373 2.493 10 0 BEAELP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000050344426 487944636 /nfs/dbraw/zinc/94/46/36/487944636.db2.gz PSVSZUITJZZSOU-JQWIXIFHSA-N 2 2 224.373 2.493 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000563440536 323126040 /nfs/dbraw/zinc/12/60/40/323126040.db2.gz QSHGXNQSTBNIQQ-ZYHUDNBSSA-N 2 2 207.321 2.007 10 0 BEAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccco1 ZINC000396731732 323657507 /nfs/dbraw/zinc/65/75/07/323657507.db2.gz YZFHNUFLWYDRBQ-DCAQKATOSA-N 2 2 208.305 2.071 10 0 BEAELP CCn1cc[nH+]c1Cn1cc[nH+]c1C1CC1 ZINC000530131579 324491404 /nfs/dbraw/zinc/49/14/04/324491404.db2.gz PGRNXPBIJKTDOD-UHFFFAOYSA-N 2 2 216.288 2.025 10 0 BEAELP CC(C)[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000134116704 325344200 /nfs/dbraw/zinc/34/42/00/325344200.db2.gz SQRZWHLZUREQIZ-FRRDWIJNSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000134116704 325344202 /nfs/dbraw/zinc/34/42/02/325344202.db2.gz SQRZWHLZUREQIZ-FRRDWIJNSA-N 2 2 224.392 2.493 10 0 BEAELP CCc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)s1 ZINC000308806031 487512457 /nfs/dbraw/zinc/51/24/57/487512457.db2.gz AWCYLRUCCUGRFT-SKDRFNHKSA-N 2 2 224.373 2.232 10 0 BEAELP CCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)s1 ZINC000308806031 487512465 /nfs/dbraw/zinc/51/24/65/487512465.db2.gz AWCYLRUCCUGRFT-SKDRFNHKSA-N 2 2 224.373 2.232 10 0 BEAELP Cc1ccc([C@H]2C[C@@H]3CC[NH2+]C[C@@H]32)c[nH+]1 ZINC000757139100 582518840 /nfs/dbraw/zinc/51/88/40/582518840.db2.gz DBZWFRWVPQXNDK-UHTWSYAYSA-N 2 2 202.301 2.103 10 0 BEAELP C[NH2+][C@@H]1CCN(c2ccc([NH+](C)C)cc2)[C@H](C)C1 ZINC000049711485 536378278 /nfs/dbraw/zinc/37/82/78/536378278.db2.gz ITUSKGBASKHSAU-CHWSQXEVSA-N 2 2 247.386 2.329 10 0 BEAELP C[N@@H+]1CC[C@@H]2CC[NH+](CC3(C)CCC3)[C@H]2C1 ZINC000336138266 536463701 /nfs/dbraw/zinc/46/37/01/536463701.db2.gz LPOXTYGRQMSUSW-OLZOCXBDSA-N 2 2 222.376 2.203 10 0 BEAELP C[N@H+]1CC[C@@H]2CC[NH+](CC3(C)CCC3)[C@H]2C1 ZINC000336138266 536463703 /nfs/dbraw/zinc/46/37/03/536463703.db2.gz LPOXTYGRQMSUSW-OLZOCXBDSA-N 2 2 222.376 2.203 10 0 BEAELP C[NH+]1CC[C@@H]2CC[N@H+](CC3(C)CCC3)[C@H]2C1 ZINC000336138266 536463706 /nfs/dbraw/zinc/46/37/06/536463706.db2.gz LPOXTYGRQMSUSW-OLZOCXBDSA-N 2 2 222.376 2.203 10 0 BEAELP C[NH+]1CC[C@@H]2CC[N@@H+](CC3(C)CCC3)[C@H]2C1 ZINC000336138266 536463710 /nfs/dbraw/zinc/46/37/10/536463710.db2.gz LPOXTYGRQMSUSW-OLZOCXBDSA-N 2 2 222.376 2.203 10 0 BEAELP CCc1cc(N2CCC([NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000045950959 536145413 /nfs/dbraw/zinc/14/54/13/536145413.db2.gz GPLRUXLEARMWFG-UHFFFAOYSA-N 2 2 248.374 2.090 10 0 BEAELP C[C@@H]1C[C@@]2(CC[N@@H+]1C)[NH2+]CCc1sccc12 ZINC000397268335 583099389 /nfs/dbraw/zinc/09/93/89/583099389.db2.gz CFHKSBXMPGRABL-ZWNOBZJWSA-N 2 2 236.384 2.203 10 0 BEAELP C[C@@H]1C[C@@]2(CC[N@H+]1C)[NH2+]CCc1sccc12 ZINC000397268335 583099393 /nfs/dbraw/zinc/09/93/93/583099393.db2.gz CFHKSBXMPGRABL-ZWNOBZJWSA-N 2 2 236.384 2.203 10 0 BEAELP CC(=O)c1cccc([C@@H]2[NH2+][C@H](C)CC[C@H]2[NH3+])c1 ZINC000757212293 586439395 /nfs/dbraw/zinc/43/93/95/586439395.db2.gz HXFJYGIDPXQBIF-FZQKWOKYSA-N 2 2 232.327 2.030 10 0 BEAELP CC(=O)c1cccc([C@@H]2[NH2+][C@@H](C)CC[C@@H]2[NH3+])c1 ZINC000757212297 586439540 /nfs/dbraw/zinc/43/95/40/586439540.db2.gz HXFJYGIDPXQBIF-HERUPUMHSA-N 2 2 232.327 2.030 10 0 BEAELP CC[C@@H](C[NH2+][C@H]1CCCSC1)[NH+]1CCCC1 ZINC000128243107 590950089 /nfs/dbraw/zinc/95/00/89/590950089.db2.gz ZWAAHAQILSCEIP-STQMWFEESA-N 2 2 242.432 2.346 10 0 BEAELP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000128264208 590954431 /nfs/dbraw/zinc/95/44/31/590954431.db2.gz NWBNTILFGLCFHJ-OLZOCXBDSA-N 2 2 242.432 2.346 10 0 BEAELP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000128264208 590954433 /nfs/dbraw/zinc/95/44/33/590954433.db2.gz NWBNTILFGLCFHJ-OLZOCXBDSA-N 2 2 242.432 2.346 10 0 BEAELP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccccc32)CC[N@@H+]1C ZINC000252136127 636766978 /nfs/dbraw/zinc/76/69/78/636766978.db2.gz MORVBRDGKFHSKX-DYEKYZERSA-N 2 2 246.354 2.192 10 0 BEAELP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccccc32)CC[N@H+]1C ZINC000252136127 636766985 /nfs/dbraw/zinc/76/69/85/636766985.db2.gz MORVBRDGKFHSKX-DYEKYZERSA-N 2 2 246.354 2.192 10 0 BEAELP [NH3+]C[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000050271162 643672648 /nfs/dbraw/zinc/67/26/48/643672648.db2.gz OBUAQINKWUMVIY-NSHDSACASA-N 2 2 210.708 2.092 10 0 BEAELP CC(C)C[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757123154 644864138 /nfs/dbraw/zinc/86/41/38/644864138.db2.gz ABEOGXPKNRLEJC-AWEZNQCLSA-N 2 2 222.376 2.203 10 0 BEAELP CC(C)C[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757123154 644864140 /nfs/dbraw/zinc/86/41/40/644864140.db2.gz ABEOGXPKNRLEJC-AWEZNQCLSA-N 2 2 222.376 2.203 10 0 BEAELP C[N@H+](Cc1ccncc1)C1(C[NH3+])CCCCC1 ZINC000036775737 712494950 /nfs/dbraw/zinc/49/49/50/712494950.db2.gz KMCPJEOZDJJPRF-UHFFFAOYSA-N 2 2 233.359 2.175 10 0 BEAELP C[N@@H+](Cc1ccncc1)C1(C[NH3+])CCCCC1 ZINC000036775737 712494952 /nfs/dbraw/zinc/49/49/52/712494952.db2.gz KMCPJEOZDJJPRF-UHFFFAOYSA-N 2 2 233.359 2.175 10 0 BEAELP Cc1cc(N2CC[NH2+]C(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000212702651 1166147047 /nfs/dbraw/zinc/14/70/47/1166147047.db2.gz XSBFQVRFOWDAKN-UHFFFAOYSA-N 2 2 248.374 2.097 10 0 BEAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC000044562797 1169097644 /nfs/dbraw/zinc/09/76/44/1169097644.db2.gz JASSARQYZPKLIF-GFCCVEGCSA-N 2 2 212.381 2.497 10 0 BEAELP C[N@H+]1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC000044562797 1169097654 /nfs/dbraw/zinc/09/76/54/1169097654.db2.gz JASSARQYZPKLIF-GFCCVEGCSA-N 2 2 212.381 2.497 10 0 BEAELP C[C@H](C[NH2+]CCCC(F)(F)F)[N@H+](C)C1CC1 ZINC000218680675 972028964 /nfs/dbraw/zinc/02/89/64/972028964.db2.gz PKLZNFCGYROFSL-SECBINFHSA-N 2 2 238.297 2.401 10 0 BEAELP C[C@H](C[NH2+]CCCC(F)(F)F)[N@@H+](C)C1CC1 ZINC000218680675 972028976 /nfs/dbraw/zinc/02/89/76/972028976.db2.gz PKLZNFCGYROFSL-SECBINFHSA-N 2 2 238.297 2.401 10 0 BEAELP CC(C)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000044561881 1171392195 /nfs/dbraw/zinc/39/21/95/1171392195.db2.gz OAHCZRYJVNZRFH-CHWSQXEVSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000044561881 1171392202 /nfs/dbraw/zinc/39/22/02/1171392202.db2.gz OAHCZRYJVNZRFH-CHWSQXEVSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000044561882 1171394794 /nfs/dbraw/zinc/39/47/94/1171394794.db2.gz OAHCZRYJVNZRFH-QWHCGFSZSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000044561882 1171394801 /nfs/dbraw/zinc/39/48/01/1171394801.db2.gz OAHCZRYJVNZRFH-QWHCGFSZSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[C@H](C[NH2+][C@H](CC(C)C)C[NH+](C)C)OC ZINC000386168156 398199223 /nfs/dbraw/zinc/19/92/23/398199223.db2.gz WARVGZQIOCBUEO-ZIAGYGMSSA-N 2 2 244.423 2.367 10 0 BEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)CC1CC1 ZINC000050578703 178092054 /nfs/dbraw/zinc/09/20/54/178092054.db2.gz ROJFYKNEBNVGIS-AWEZNQCLSA-N 2 2 236.334 2.476 10 0 BEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)CC1CC1 ZINC000050578703 178092056 /nfs/dbraw/zinc/09/20/56/178092056.db2.gz ROJFYKNEBNVGIS-AWEZNQCLSA-N 2 2 236.334 2.476 10 0 BEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[NH+]1CCCC1 ZINC000050578056 178092090 /nfs/dbraw/zinc/09/20/90/178092090.db2.gz QMBRPZFSQFQZNE-CYBMUJFWSA-N 2 2 222.307 2.230 10 0 BEAELP Cc1cc(N(CCC[NH3+])C2CC2)nc(C(C)C)[nH+]1 ZINC000035663796 178101853 /nfs/dbraw/zinc/10/18/53/178101853.db2.gz WWMLQPJIICLGMQ-UHFFFAOYSA-N 2 2 248.374 2.226 10 0 BEAELP Cc1cc([NH3+])ccc1N[C@H](C)C[NH+]1CCCC1 ZINC000042598601 178106954 /nfs/dbraw/zinc/10/69/54/178106954.db2.gz GPYCTQCBCVECBZ-GFCCVEGCSA-N 2 2 233.359 2.473 10 0 BEAELP Cc1cc(NC[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000044502923 178169560 /nfs/dbraw/zinc/16/95/60/178169560.db2.gz JZIIRJZIXAWSFU-LBPRGKRZSA-N 2 2 248.374 2.320 10 0 BEAELP Cc1cc([C@@H](C)[N@@H+]2CCC[NH2+]CC2)c(C)o1 ZINC000038087016 178220541 /nfs/dbraw/zinc/22/05/41/178220541.db2.gz JWGNRGYJPQLOCH-LLVKDONJSA-N 2 2 222.332 2.253 10 0 BEAELP Cc1cc([C@@H](C)[N@H+]2CCC[NH2+]CC2)c(C)o1 ZINC000038087016 178220545 /nfs/dbraw/zinc/22/05/45/178220545.db2.gz JWGNRGYJPQLOCH-LLVKDONJSA-N 2 2 222.332 2.253 10 0 BEAELP Cc1cc2[nH+]cn(CCCC[NH3+])c2cc1C ZINC000019394980 178305618 /nfs/dbraw/zinc/30/56/18/178305618.db2.gz KFQANLHNZORACL-UHFFFAOYSA-N 2 2 217.316 2.392 10 0 BEAELP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)C(C)C ZINC000040502849 343999292 /nfs/dbraw/zinc/99/92/92/343999292.db2.gz ODMVJBNCHUGKBC-STQMWFEESA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)C(C)C ZINC000040502849 343999293 /nfs/dbraw/zinc/99/92/93/343999293.db2.gz ODMVJBNCHUGKBC-STQMWFEESA-N 2 2 212.381 2.495 10 0 BEAELP CCC(CC)[NH2+]C[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000053496175 168388749 /nfs/dbraw/zinc/38/87/49/168388749.db2.gz WJTWPDVVZHDCRH-OCCSQVGLSA-N 2 2 242.407 2.264 10 0 BEAELP CCC(CC)[NH2+]C[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000053496175 168388752 /nfs/dbraw/zinc/38/87/52/168388752.db2.gz WJTWPDVVZHDCRH-OCCSQVGLSA-N 2 2 242.407 2.264 10 0 BEAELP C[C@@H](CCc1ccco1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040672723 538972652 /nfs/dbraw/zinc/97/26/52/538972652.db2.gz FJTHYLCPZMNSTN-STQMWFEESA-N 2 2 236.359 2.285 10 0 BEAELP C[C@@H](CCc1ccco1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040672723 538972653 /nfs/dbraw/zinc/97/26/53/538972653.db2.gz FJTHYLCPZMNSTN-STQMWFEESA-N 2 2 236.359 2.285 10 0 BEAELP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040672724 538972955 /nfs/dbraw/zinc/97/29/55/538972955.db2.gz FJTHYLCPZMNSTN-OLZOCXBDSA-N 2 2 236.359 2.285 10 0 BEAELP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040672724 538972956 /nfs/dbraw/zinc/97/29/56/538972956.db2.gz FJTHYLCPZMNSTN-OLZOCXBDSA-N 2 2 236.359 2.285 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000381653825 539005972 /nfs/dbraw/zinc/00/59/72/539005972.db2.gz DSKKRPIVPSKRDM-YVNMAJEFSA-N 2 2 232.318 2.104 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000381653825 539005973 /nfs/dbraw/zinc/00/59/73/539005973.db2.gz DSKKRPIVPSKRDM-YVNMAJEFSA-N 2 2 232.318 2.104 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]C2CC(C(C)C)C2)[C@@H](C)C1 ZINC000381648785 539006113 /nfs/dbraw/zinc/00/61/13/539006113.db2.gz CMJPDNRANLASLN-ABXWRUBCSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]C2CC(C(C)C)C2)[C@@H](C)C1 ZINC000381648785 539006115 /nfs/dbraw/zinc/00/61/15/539006115.db2.gz CMJPDNRANLASLN-ABXWRUBCSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000390549772 539026251 /nfs/dbraw/zinc/02/62/51/539026251.db2.gz OHJQRNJWXOMJKC-UMSGYPCISA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000390549772 539026252 /nfs/dbraw/zinc/02/62/52/539026252.db2.gz OHJQRNJWXOMJKC-UMSGYPCISA-N 2 2 224.392 2.351 10 0 BEAELP Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c(C)[nH+]1 ZINC000094665986 343156573 /nfs/dbraw/zinc/15/65/73/343156573.db2.gz PMAWKBABWYAIQW-LBPRGKRZSA-N 2 2 247.342 2.027 10 0 BEAELP C[C@H](C[NH3+])c1c[nH+]c2ccc(Cl)cn21 ZINC000033507410 343256093 /nfs/dbraw/zinc/25/60/93/343256093.db2.gz REXKGMNJJBVTLL-SSDOTTSWSA-N 2 2 209.680 2.050 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000309486822 343603982 /nfs/dbraw/zinc/60/39/82/343603982.db2.gz VRERNZUKHKXKNA-CHWSQXEVSA-N 2 2 222.376 2.393 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000309486822 343603983 /nfs/dbraw/zinc/60/39/83/343603983.db2.gz VRERNZUKHKXKNA-CHWSQXEVSA-N 2 2 222.376 2.393 10 0 BEAELP [NH3+]Cc1[nH+]c(C2CCCC2)n2ccccc12 ZINC000212371357 343791764 /nfs/dbraw/zinc/79/17/64/343791764.db2.gz PPCYZLCFGQDBDG-UHFFFAOYSA-N 2 2 215.300 2.451 10 0 BEAELP C([C@@H]1CCC2(CCCC2)C[NH2+]1)[NH+]1CCC1 ZINC000667594194 537884206 /nfs/dbraw/zinc/88/42/06/537884206.db2.gz CYEIKTSMAJLLKD-LBPRGKRZSA-N 2 2 208.349 2.005 10 0 BEAELP C[NH2+][C@@H]1CCC[N@@H+]([C@H](C)c2cccs2)C1 ZINC000248098814 345041291 /nfs/dbraw/zinc/04/12/91/345041291.db2.gz ZNEGBTJZMXSFAT-GHMZBOCLSA-N 2 2 224.373 2.493 10 0 BEAELP C[NH2+][C@@H]1CCC[N@H+]([C@H](C)c2cccs2)C1 ZINC000248098814 345041293 /nfs/dbraw/zinc/04/12/93/345041293.db2.gz ZNEGBTJZMXSFAT-GHMZBOCLSA-N 2 2 224.373 2.493 10 0 BEAELP Cc1ccc(F)c([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)c1 ZINC000675054075 537890786 /nfs/dbraw/zinc/89/07/86/537890786.db2.gz LPOZPQDTMCCVBX-GWCFXTLKSA-N 2 2 222.307 2.228 10 0 BEAELP Cc1ccc(F)c([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000675054075 537890794 /nfs/dbraw/zinc/89/07/94/537890794.db2.gz LPOZPQDTMCCVBX-GWCFXTLKSA-N 2 2 222.307 2.228 10 0 BEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000156228560 345140926 /nfs/dbraw/zinc/14/09/26/345140926.db2.gz KTQVYXOWFCGNCV-CYBMUJFWSA-N 2 2 233.359 2.492 10 0 BEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000156228560 345140929 /nfs/dbraw/zinc/14/09/29/345140929.db2.gz KTQVYXOWFCGNCV-CYBMUJFWSA-N 2 2 233.359 2.492 10 0 BEAELP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)c(F)c1 ZINC000074001603 537912063 /nfs/dbraw/zinc/91/20/63/537912063.db2.gz KDJJDGQYCDVRRQ-JOYOIKCWSA-N 2 2 226.270 2.059 10 0 BEAELP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)c(F)c1 ZINC000074001603 537912072 /nfs/dbraw/zinc/91/20/72/537912072.db2.gz KDJJDGQYCDVRRQ-JOYOIKCWSA-N 2 2 226.270 2.059 10 0 BEAELP c1[nH+]cn(Cc2ccccc2)c1[C@H]1CCC[NH2+]C1 ZINC000217355282 346483462 /nfs/dbraw/zinc/48/34/62/346483462.db2.gz CQXFFLYILHBUJN-AWEZNQCLSA-N 2 2 241.338 2.398 10 0 BEAELP Cc1ccccc1OCC[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000104358836 179311012 /nfs/dbraw/zinc/31/10/12/179311012.db2.gz JNZQLTMFYULKHV-CQSZACIVSA-N 2 2 248.370 2.058 10 0 BEAELP Cc1ccccc1OCC[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000104358836 179311014 /nfs/dbraw/zinc/31/10/14/179311014.db2.gz JNZQLTMFYULKHV-CQSZACIVSA-N 2 2 248.370 2.058 10 0 BEAELP c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000037168596 348024925 /nfs/dbraw/zinc/02/49/25/348024925.db2.gz SCTRVPQBVADAOD-ZIAGYGMSSA-N 2 2 216.328 2.013 10 0 BEAELP c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]23)cc1 ZINC000037168596 348024926 /nfs/dbraw/zinc/02/49/26/348024926.db2.gz SCTRVPQBVADAOD-ZIAGYGMSSA-N 2 2 216.328 2.013 10 0 BEAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)C(C)C ZINC000022166293 179342756 /nfs/dbraw/zinc/34/27/56/179342756.db2.gz JGHCWMDVXYPIAR-ZDUSSCGKSA-N 2 2 206.333 2.335 10 0 BEAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)C(C)C ZINC000022166293 179342759 /nfs/dbraw/zinc/34/27/59/179342759.db2.gz JGHCWMDVXYPIAR-ZDUSSCGKSA-N 2 2 206.333 2.335 10 0 BEAELP Cc1ccccc1[C@H]([NH3+])CC[N@H+]1CCOC[C@@H]1C ZINC000054017700 179344208 /nfs/dbraw/zinc/34/42/08/179344208.db2.gz QIDMIUAMTFDRGS-DZGCQCFKSA-N 2 2 248.370 2.106 10 0 BEAELP Cc1ccccc1[C@H]([NH3+])CC[N@@H+]1CCOC[C@@H]1C ZINC000054017700 179344210 /nfs/dbraw/zinc/34/42/10/179344210.db2.gz QIDMIUAMTFDRGS-DZGCQCFKSA-N 2 2 248.370 2.106 10 0 BEAELP Cc1cccn2c([C@H]([NH3+])C(C)C)c[nH+]c12 ZINC000031911688 179353787 /nfs/dbraw/zinc/35/37/87/179353787.db2.gz PMNOQLMMKRZMKN-LLVKDONJSA-N 2 2 203.289 2.299 10 0 BEAELP C[C@H]1CN(c2[nH+]ccc3ccccc32)CC[C@H]1[NH3+] ZINC000251753430 362905843 /nfs/dbraw/zinc/90/58/43/362905843.db2.gz LKWJWZVEVOQPMU-SMDDNHRTSA-N 2 2 241.338 2.408 10 0 BEAELP CC[N@H+](C)C[C@@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669385104 538019004 /nfs/dbraw/zinc/01/90/04/538019004.db2.gz YCPMULDNYKNAGC-LBPRGKRZSA-N 2 2 210.365 2.251 10 0 BEAELP CC[N@@H+](C)C[C@@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669385104 538019008 /nfs/dbraw/zinc/01/90/08/538019008.db2.gz YCPMULDNYKNAGC-LBPRGKRZSA-N 2 2 210.365 2.251 10 0 BEAELP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C)C2)cs1 ZINC000037484834 180038494 /nfs/dbraw/zinc/03/84/94/180038494.db2.gz PYBXFKUWBXCRPY-KOLCDFICSA-N 2 2 239.388 2.054 10 0 BEAELP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)C2)cs1 ZINC000037484834 180038496 /nfs/dbraw/zinc/03/84/96/180038496.db2.gz PYBXFKUWBXCRPY-KOLCDFICSA-N 2 2 239.388 2.054 10 0 BEAELP Cc1[nH+]c2cc(C[NH3+])ccc2n1CC1CC1 ZINC000328579356 180078351 /nfs/dbraw/zinc/07/83/51/180078351.db2.gz CIVYSUKXKPWDRR-UHFFFAOYSA-N 2 2 215.300 2.213 10 0 BEAELP Cc1nc(N[C@H](CC(C)C)C[NH+](C)C)cc[nH+]1 ZINC000054936292 180204615 /nfs/dbraw/zinc/20/46/15/180204615.db2.gz MQQGMSTWIOLTIP-GFCCVEGCSA-N 2 2 236.363 2.173 10 0 BEAELP Cc1nc(N[C@H](C)c2ccc(C[NH3+])cc2)cc[nH+]1 ZINC000054935440 180205763 /nfs/dbraw/zinc/20/57/63/180205763.db2.gz JTWVYSAUICJXIX-SNVBAGLBSA-N 2 2 242.326 2.417 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384878339 350610012 /nfs/dbraw/zinc/61/00/12/350610012.db2.gz JKFRKXIOPKTKES-XJFOESAGSA-N 2 2 242.407 2.118 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cncc2ccccc21 ZINC000616607769 350801831 /nfs/dbraw/zinc/80/18/31/350801831.db2.gz MFEMDWCPTLHDBE-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1cncc2ccccc21 ZINC000616607769 350801834 /nfs/dbraw/zinc/80/18/34/350801834.db2.gz MFEMDWCPTLHDBE-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccc2cccnc2c1 ZINC000616608638 350805608 /nfs/dbraw/zinc/80/56/08/350805608.db2.gz YENMGUKRYUXWPM-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccc2cccnc2c1 ZINC000616608638 350805609 /nfs/dbraw/zinc/80/56/09/350805609.db2.gz YENMGUKRYUXWPM-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP CC[N@@H+]1CCC[C@@H](c2cccc(N)[nH+]2)CC1 ZINC000616611371 350810702 /nfs/dbraw/zinc/81/07/02/350810702.db2.gz PLQRFSBTIQVONE-LLVKDONJSA-N 2 2 219.332 2.253 10 0 BEAELP CC[N@H+]1CCC[C@@H](c2cccc(N)[nH+]2)CC1 ZINC000616611371 350810704 /nfs/dbraw/zinc/81/07/04/350810704.db2.gz PLQRFSBTIQVONE-LLVKDONJSA-N 2 2 219.332 2.253 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616619748 350928379 /nfs/dbraw/zinc/92/83/79/350928379.db2.gz AUNUYZFWIJHQPQ-GFCCVEGCSA-N 2 2 238.762 2.478 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616619748 350928381 /nfs/dbraw/zinc/92/83/81/350928381.db2.gz AUNUYZFWIJHQPQ-GFCCVEGCSA-N 2 2 238.762 2.478 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1cncc2ccccc21 ZINC000616633558 351115434 /nfs/dbraw/zinc/11/54/34/351115434.db2.gz MFEMDWCPTLHDBE-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H]1c1cncc2ccccc21 ZINC000616633558 351115436 /nfs/dbraw/zinc/11/54/36/351115436.db2.gz MFEMDWCPTLHDBE-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP c1c[nH+]c([C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000616634486 351117111 /nfs/dbraw/zinc/11/71/11/351117111.db2.gz RPNLQWCUFVHIAL-ZDUSSCGKSA-N 2 2 227.311 2.399 10 0 BEAELP c1c[nH+]c([C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000616634486 351117112 /nfs/dbraw/zinc/11/71/12/351117112.db2.gz RPNLQWCUFVHIAL-ZDUSSCGKSA-N 2 2 227.311 2.399 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000638409536 352216497 /nfs/dbraw/zinc/21/64/97/352216497.db2.gz PCIJDHOGDYIAHN-KBXIAJHMSA-N 2 2 236.403 2.497 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000638409536 352216500 /nfs/dbraw/zinc/21/65/00/352216500.db2.gz PCIJDHOGDYIAHN-KBXIAJHMSA-N 2 2 236.403 2.497 10 0 BEAELP CC[N@@H+]1CCC[C@H](Nc2cccc(C)[nH+]2)C1 ZINC000040503205 352598077 /nfs/dbraw/zinc/59/80/77/352598077.db2.gz ZHMBZRAUZUGJKN-LBPRGKRZSA-N 2 2 219.332 2.286 10 0 BEAELP CC[N@H+]1CCC[C@H](Nc2cccc(C)[nH+]2)C1 ZINC000040503205 352598079 /nfs/dbraw/zinc/59/80/79/352598079.db2.gz ZHMBZRAUZUGJKN-LBPRGKRZSA-N 2 2 219.332 2.286 10 0 BEAELP Cc1c(N)c[nH+]cc1C1=CC[C@](C)([NH3+])CC1 ZINC000725272837 538104643 /nfs/dbraw/zinc/10/46/43/538104643.db2.gz SLIIAGYWTREKHN-ZDUSSCGKSA-N 2 2 217.316 2.257 10 0 BEAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000231359807 538105927 /nfs/dbraw/zinc/10/59/27/538105927.db2.gz GUIJFNHRAFCODD-SMDDNHRTSA-N 2 2 246.354 2.063 10 0 BEAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000231359807 538105928 /nfs/dbraw/zinc/10/59/28/538105928.db2.gz GUIJFNHRAFCODD-SMDDNHRTSA-N 2 2 246.354 2.063 10 0 BEAELP CC(C)C[C@@](C)(C[NH3+])[N@H+](C)Cc1cccnc1 ZINC000036770998 188112575 /nfs/dbraw/zinc/11/25/75/188112575.db2.gz SVHRAVYVAVSJBR-AWEZNQCLSA-N 2 2 235.375 2.277 10 0 BEAELP CC(C)C[C@@](C)(C[NH3+])[N@@H+](C)Cc1cccnc1 ZINC000036770998 188112577 /nfs/dbraw/zinc/11/25/77/188112577.db2.gz SVHRAVYVAVSJBR-AWEZNQCLSA-N 2 2 235.375 2.277 10 0 BEAELP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1(C)CC1 ZINC000122802457 324058703 /nfs/dbraw/zinc/05/87/03/324058703.db2.gz BFJVONPXPVDOGQ-GRYCIOLGSA-N 2 2 222.376 2.390 10 0 BEAELP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1(C)CC1 ZINC000122802457 324058706 /nfs/dbraw/zinc/05/87/06/324058706.db2.gz BFJVONPXPVDOGQ-GRYCIOLGSA-N 2 2 222.376 2.390 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000226587813 535305451 /nfs/dbraw/zinc/30/54/51/535305451.db2.gz CDUJPAWRSSODBD-MELADBBJSA-N 2 2 242.407 2.120 10 0 BEAELP C[C@@H]1CCC[N@H+](CC23CCC(CC2)[NH2+]3)C1 ZINC000675056243 538477552 /nfs/dbraw/zinc/47/75/52/538477552.db2.gz MZBIBULHADXDSP-PNESKVBLSA-N 2 2 208.349 2.003 10 0 BEAELP C[C@@H]1CCC[N@@H+](CC23CCC(CC2)[NH2+]3)C1 ZINC000675056243 538477554 /nfs/dbraw/zinc/47/75/54/538477554.db2.gz MZBIBULHADXDSP-PNESKVBLSA-N 2 2 208.349 2.003 10 0 BEAELP C[C@@H]1C[C@@H](C)C[NH+](CC23CCC(CC2)[NH2+]3)C1 ZINC000675056184 538477582 /nfs/dbraw/zinc/47/75/82/538477582.db2.gz LEPRMAFBNCRDIO-IWMBGFJWSA-N 2 2 222.376 2.249 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@@H+](CC23CCC(CC2)[NH2+]3)C1 ZINC000675056185 538478000 /nfs/dbraw/zinc/47/80/00/538478000.db2.gz LEPRMAFBNCRDIO-VTXSZYRJSA-N 2 2 222.376 2.249 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@H+](CC23CCC(CC2)[NH2+]3)C1 ZINC000675056185 538478003 /nfs/dbraw/zinc/47/80/03/538478003.db2.gz LEPRMAFBNCRDIO-VTXSZYRJSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)CC[C@H]2C)C1 ZINC000389586876 356995735 /nfs/dbraw/zinc/99/57/35/356995735.db2.gz ZCLLSMKBPCVGDQ-YIYPIFLZSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)CC[C@H]2C)C1 ZINC000389586876 356995738 /nfs/dbraw/zinc/99/57/38/356995738.db2.gz ZCLLSMKBPCVGDQ-YIYPIFLZSA-N 2 2 224.392 2.495 10 0 BEAELP CCC1(C)CC[NH+]([C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC000685948675 538891026 /nfs/dbraw/zinc/89/10/26/538891026.db2.gz SVDTUHWELQOJEN-NWDGAFQWSA-N 2 2 228.355 2.199 10 0 BEAELP Cc1cc(F)ccc1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000050577321 357737649 /nfs/dbraw/zinc/73/76/49/357737649.db2.gz VBZFAFOXZXHGSL-AWEZNQCLSA-N 2 2 236.334 2.318 10 0 BEAELP Cc1cc(F)ccc1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000050577321 357737653 /nfs/dbraw/zinc/73/76/53/357737653.db2.gz VBZFAFOXZXHGSL-AWEZNQCLSA-N 2 2 236.334 2.318 10 0 BEAELP C[C@@H](CC[NH3+])Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000134272755 358785849 /nfs/dbraw/zinc/78/58/49/358785849.db2.gz ZMMSBCVRMJIRQN-ZETCQYMHSA-N 2 2 233.237 2.250 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)[C@H]1C[C@H]1C ZINC000321952368 259482594 /nfs/dbraw/zinc/48/25/94/259482594.db2.gz XAFPEPKUHQIUCW-NDBYEHHHSA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)[C@H]1C[C@H]1C ZINC000321952368 259482596 /nfs/dbraw/zinc/48/25/96/259482596.db2.gz XAFPEPKUHQIUCW-NDBYEHHHSA-N 2 2 210.365 2.105 10 0 BEAELP CCn1c[nH+]cc1C[NH2+][C@H]1COc2ccccc21 ZINC000090173407 360062289 /nfs/dbraw/zinc/06/22/89/360062289.db2.gz KSINDGGYMVISSP-ZDUSSCGKSA-N 2 2 243.310 2.126 10 0 BEAELP CCn1c[nH+]cc1C[NH2+][C@@H]1COc2ccccc21 ZINC000090173404 360062592 /nfs/dbraw/zinc/06/25/92/360062592.db2.gz KSINDGGYMVISSP-CYBMUJFWSA-N 2 2 243.310 2.126 10 0 BEAELP CC[C@H](C)C[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000093066664 360213526 /nfs/dbraw/zinc/21/35/26/360213526.db2.gz IEOQKEFEHSHTPG-JQWIXIFHSA-N 2 2 221.348 2.142 10 0 BEAELP CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799984 360558945 /nfs/dbraw/zinc/55/89/45/360558945.db2.gz UJVFXUJJPZMMKH-MNOVXSKESA-N 2 2 210.346 2.232 10 0 BEAELP CCC[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799984 360558953 /nfs/dbraw/zinc/55/89/53/360558953.db2.gz UJVFXUJJPZMMKH-MNOVXSKESA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccsc2)C1 ZINC000328145139 364811856 /nfs/dbraw/zinc/81/18/56/364811856.db2.gz AGKNNKXHZRLTCV-WCQYABFASA-N 2 2 238.400 2.363 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccsc2)C1 ZINC000328145139 364811860 /nfs/dbraw/zinc/81/18/60/364811860.db2.gz AGKNNKXHZRLTCV-WCQYABFASA-N 2 2 238.400 2.363 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccsc2)C1 ZINC000328145138 364812189 /nfs/dbraw/zinc/81/21/89/364812189.db2.gz AGKNNKXHZRLTCV-DGCLKSJQSA-N 2 2 238.400 2.363 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccsc2)C1 ZINC000328145138 364812194 /nfs/dbraw/zinc/81/21/94/364812194.db2.gz AGKNNKXHZRLTCV-DGCLKSJQSA-N 2 2 238.400 2.363 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccco2)C1 ZINC000328205509 364818859 /nfs/dbraw/zinc/81/88/59/364818859.db2.gz TXNPRKVWLQSSHG-STQMWFEESA-N 2 2 236.359 2.285 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccco2)C1 ZINC000328205509 364818863 /nfs/dbraw/zinc/81/88/63/364818863.db2.gz TXNPRKVWLQSSHG-STQMWFEESA-N 2 2 236.359 2.285 10 0 BEAELP [NH3+]CCCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000053530751 181379369 /nfs/dbraw/zinc/37/93/69/181379369.db2.gz FKVRMJHHNTUTTP-UHFFFAOYSA-N 2 2 225.242 2.053 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000581595161 367621701 /nfs/dbraw/zinc/62/17/01/367621701.db2.gz SDBAULYHZFCJTH-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000581595161 367621704 /nfs/dbraw/zinc/62/17/04/367621704.db2.gz SDBAULYHZFCJTH-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384501091 367693850 /nfs/dbraw/zinc/69/38/50/367693850.db2.gz CKJAHLIZIPEMBT-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384501091 367693857 /nfs/dbraw/zinc/69/38/57/367693857.db2.gz CKJAHLIZIPEMBT-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000623870786 371134406 /nfs/dbraw/zinc/13/44/06/371134406.db2.gz MUGLNCRXRODEAN-MELADBBJSA-N 2 2 240.391 2.018 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000623870786 371134412 /nfs/dbraw/zinc/13/44/12/371134412.db2.gz MUGLNCRXRODEAN-MELADBBJSA-N 2 2 240.391 2.018 10 0 BEAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1F ZINC000034977360 181560176 /nfs/dbraw/zinc/56/01/76/181560176.db2.gz MTGNVBIUWPKKSP-JTQLQIEISA-N 2 2 239.681 2.445 10 0 BEAELP Cc1ccc([C@H](C[NH3+])[NH+]2CCCC2)c(C)c1 ZINC000022177670 371524369 /nfs/dbraw/zinc/52/43/69/371524369.db2.gz BDBNFASWYDMARW-AWEZNQCLSA-N 2 2 218.344 2.399 10 0 BEAELP CCOc1cccc([C@H](C[NH3+])[NH+](CC)CC)c1 ZINC000038970640 372838543 /nfs/dbraw/zinc/83/85/43/372838543.db2.gz NZDYMNKPIAFDSM-AWEZNQCLSA-N 2 2 236.359 2.427 10 0 BEAELP Cc1ccsc1[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000069637147 373563960 /nfs/dbraw/zinc/56/39/60/373563960.db2.gz POCVEWWMLCNKMB-ZJUUUORDSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccsc1[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC000069637147 373563968 /nfs/dbraw/zinc/56/39/68/373563968.db2.gz POCVEWWMLCNKMB-ZJUUUORDSA-N 2 2 210.346 2.151 10 0 BEAELP CCc1ccc([C@@H]2[C@H]([NH3+])CC[N@@H+]2C)s1 ZINC000069799056 373807623 /nfs/dbraw/zinc/80/76/23/373807623.db2.gz QGKVGOILMQULDH-KOLCDFICSA-N 2 2 210.346 2.014 10 0 BEAELP CCc1ccc([C@@H]2[C@H]([NH3+])CC[N@H+]2C)s1 ZINC000069799056 373807628 /nfs/dbraw/zinc/80/76/28/373807628.db2.gz QGKVGOILMQULDH-KOLCDFICSA-N 2 2 210.346 2.014 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1c1cccs1 ZINC000069799277 373807951 /nfs/dbraw/zinc/80/79/51/373807951.db2.gz NEZJWHGZSMWZQF-MWLCHTKSSA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH3+])[C@@H]1c1cccs1 ZINC000069799277 373807957 /nfs/dbraw/zinc/80/79/57/373807957.db2.gz NEZJWHGZSMWZQF-MWLCHTKSSA-N 2 2 210.346 2.232 10 0 BEAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596566 169086576 /nfs/dbraw/zinc/08/65/76/169086576.db2.gz ZKPWHNPUMUPDCA-ZDUSSCGKSA-N 2 2 236.359 2.345 10 0 BEAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596566 169086578 /nfs/dbraw/zinc/08/65/78/169086578.db2.gz ZKPWHNPUMUPDCA-ZDUSSCGKSA-N 2 2 236.359 2.345 10 0 BEAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000020225877 169087078 /nfs/dbraw/zinc/08/70/78/169087078.db2.gz UUHDGOHMSVLBSK-CYBMUJFWSA-N 2 2 222.332 2.037 10 0 BEAELP CCC[N@@H+](C)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000020225877 169087080 /nfs/dbraw/zinc/08/70/80/169087080.db2.gz UUHDGOHMSVLBSK-CYBMUJFWSA-N 2 2 222.332 2.037 10 0 BEAELP CCC[NH+](CCC)C[C@H]([NH3+])CC(C)C ZINC000020072224 169148757 /nfs/dbraw/zinc/14/87/57/169148757.db2.gz ORNBJSRGPVXGEI-GFCCVEGCSA-N 2 2 200.370 2.482 10 0 BEAELP CCC[N@H+](C[C@H]([NH3+])CC(C)C)CC1CC1 ZINC000042491172 169138608 /nfs/dbraw/zinc/13/86/08/169138608.db2.gz KQTKIUKWZJOHSA-CYBMUJFWSA-N 2 2 212.381 2.482 10 0 BEAELP CCC[N@@H+](C[C@H]([NH3+])CC(C)C)CC1CC1 ZINC000042491172 169138609 /nfs/dbraw/zinc/13/86/09/169138609.db2.gz KQTKIUKWZJOHSA-CYBMUJFWSA-N 2 2 212.381 2.482 10 0 BEAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccncc1 ZINC000032021423 169152736 /nfs/dbraw/zinc/15/27/36/169152736.db2.gz NTDMTUMWNSQCFW-CYBMUJFWSA-N 2 2 221.348 2.203 10 0 BEAELP CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897409 169194651 /nfs/dbraw/zinc/19/46/51/169194651.db2.gz CSPQUIXMKWKXLX-GFCCVEGCSA-N 2 2 221.348 2.492 10 0 BEAELP CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897409 169194653 /nfs/dbraw/zinc/19/46/53/169194653.db2.gz CSPQUIXMKWKXLX-GFCCVEGCSA-N 2 2 221.348 2.492 10 0 BEAELP CCC[NH2+]CCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043427171 169256444 /nfs/dbraw/zinc/25/64/44/169256444.db2.gz DDXNVJZYCOCBKI-UONOGXRCSA-N 2 2 240.391 2.020 10 0 BEAELP CCC[NH2+]CCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043427171 169256445 /nfs/dbraw/zinc/25/64/45/169256445.db2.gz DDXNVJZYCOCBKI-UONOGXRCSA-N 2 2 240.391 2.020 10 0 BEAELP c1ccc(C[N@@H+]2CCC[C@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000076677925 183399508 /nfs/dbraw/zinc/39/95/08/183399508.db2.gz DOPZYHRIMKUAGC-GJZGRUSLSA-N 2 2 230.355 2.261 10 0 BEAELP c1ccc(C[N@H+]2CCC[C@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000076677925 183399512 /nfs/dbraw/zinc/39/95/12/183399512.db2.gz DOPZYHRIMKUAGC-GJZGRUSLSA-N 2 2 230.355 2.261 10 0 BEAELP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1[C@@H]1CCOC1 ZINC000112174100 169275673 /nfs/dbraw/zinc/27/56/73/169275673.db2.gz LTMKKNQXXACDKL-MJBXVCDLSA-N 2 2 240.391 2.018 10 0 BEAELP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1[C@@H]1CCOC1 ZINC000112174100 169275675 /nfs/dbraw/zinc/27/56/75/169275675.db2.gz LTMKKNQXXACDKL-MJBXVCDLSA-N 2 2 240.391 2.018 10 0 BEAELP CCC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000037241597 169292094 /nfs/dbraw/zinc/29/20/94/169292094.db2.gz CQMMMGCCPZRUGE-HNNXBMFYSA-N 2 2 232.371 2.303 10 0 BEAELP CCC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000037241597 169292095 /nfs/dbraw/zinc/29/20/95/169292095.db2.gz CQMMMGCCPZRUGE-HNNXBMFYSA-N 2 2 232.371 2.303 10 0 BEAELP CCCOc1cccc([C@@H](C[NH3+])[NH2+]C2CC2)c1 ZINC000052921295 169325883 /nfs/dbraw/zinc/32/58/83/169325883.db2.gz LRVYMEFATFMUQP-CQSZACIVSA-N 2 2 234.343 2.227 10 0 BEAELP CCC[C@@H]([NH3+])[C@@H](CC)[N@H+](C)Cc1cccnc1 ZINC000036771084 169392847 /nfs/dbraw/zinc/39/28/47/169392847.db2.gz DKDKAAWNFCYONW-ZIAGYGMSSA-N 2 2 235.375 2.419 10 0 BEAELP CCC[C@@H]([NH3+])[C@@H](CC)[N@@H+](C)Cc1cccnc1 ZINC000036771084 169392849 /nfs/dbraw/zinc/39/28/49/169392849.db2.gz DKDKAAWNFCYONW-ZIAGYGMSSA-N 2 2 235.375 2.419 10 0 BEAELP C[C@H](C[NH2+]CCn1cc[nH+]c1)Cc1ccccc1 ZINC000132905309 384261630 /nfs/dbraw/zinc/26/16/30/384261630.db2.gz LOVRCGKNKCJEFU-AWEZNQCLSA-N 2 2 243.354 2.352 10 0 BEAELP CCC[C@H](C)C[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000040502510 384270112 /nfs/dbraw/zinc/27/01/12/384270112.db2.gz XVLQHBMVDIJLFA-STQMWFEESA-N 2 2 212.381 2.497 10 0 BEAELP CCC[C@H](C)C[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000040502510 384270119 /nfs/dbraw/zinc/27/01/19/384270119.db2.gz XVLQHBMVDIJLFA-STQMWFEESA-N 2 2 212.381 2.497 10 0 BEAELP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000095072296 384342672 /nfs/dbraw/zinc/34/26/72/384342672.db2.gz FGJWOBDSUVQGJH-IUCAKERBSA-N 2 2 245.779 2.156 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000090234913 384638407 /nfs/dbraw/zinc/63/84/07/384638407.db2.gz PEJYVBQJOCDYIZ-DYEKYZERSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000090234913 384638418 /nfs/dbraw/zinc/63/84/18/384638418.db2.gz PEJYVBQJOCDYIZ-DYEKYZERSA-N 2 2 224.392 2.493 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000044473139 384740882 /nfs/dbraw/zinc/74/08/82/384740882.db2.gz NWSOYVDAPWCURP-QMMMGPOBSA-N 2 2 238.640 2.317 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000398115151 384806797 /nfs/dbraw/zinc/80/67/97/384806797.db2.gz YTJUZXSXDNOCFN-YPMHNXCESA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000398115151 384806803 /nfs/dbraw/zinc/80/68/03/384806803.db2.gz YTJUZXSXDNOCFN-YPMHNXCESA-N 2 2 210.365 2.249 10 0 BEAELP CC[NH+](CC)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000110111722 385212011 /nfs/dbraw/zinc/21/20/11/385212011.db2.gz KQWBECNOYWJWDL-UHFFFAOYSA-N 2 2 248.374 2.498 10 0 BEAELP C[C@H](C[NH2+][C@H]1CCC[C@H]1CCF)[NH+](C)C ZINC000308890898 385245616 /nfs/dbraw/zinc/24/56/16/385245616.db2.gz XOQAXJKCBLUUEA-WOPDTQHZSA-N 2 2 216.344 2.054 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000178472744 385286207 /nfs/dbraw/zinc/28/62/07/385286207.db2.gz KJLAUFJWZIBWII-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000178472744 385286212 /nfs/dbraw/zinc/28/62/12/385286212.db2.gz KJLAUFJWZIBWII-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000309183864 385454824 /nfs/dbraw/zinc/45/48/24/385454824.db2.gz OFZNSFKUYBTUBU-RNJOBUHISA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000309183864 385454827 /nfs/dbraw/zinc/45/48/27/385454827.db2.gz OFZNSFKUYBTUBU-RNJOBUHISA-N 2 2 212.381 2.351 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336692496 385733879 /nfs/dbraw/zinc/73/38/79/385733879.db2.gz HUZKCMUFBBYMAW-UONOGXRCSA-N 3 2 243.439 2.070 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@H]1C ZINC000336746235 385929783 /nfs/dbraw/zinc/92/97/83/385929783.db2.gz BSBDLEFAMGIKTJ-FRRDWIJNSA-N 2 2 212.381 2.208 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)C1CCC1 ZINC000324882960 386677175 /nfs/dbraw/zinc/67/71/75/386677175.db2.gz DUIHIFDPPCDISI-OLZOCXBDSA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)C1CCC1 ZINC000324882960 386677179 /nfs/dbraw/zinc/67/71/79/386677179.db2.gz DUIHIFDPPCDISI-OLZOCXBDSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000396563880 386778817 /nfs/dbraw/zinc/77/88/17/386778817.db2.gz UXXRFYITSGSQMQ-TUKIKUTGSA-N 2 2 230.355 2.404 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000323994741 386955998 /nfs/dbraw/zinc/95/59/98/386955998.db2.gz LZRXAUNDRPSIMJ-OLZOCXBDSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000323994741 386956000 /nfs/dbraw/zinc/95/60/00/386956000.db2.gz LZRXAUNDRPSIMJ-OLZOCXBDSA-N 2 2 210.365 2.105 10 0 BEAELP C[NH2+][C@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000053201262 387020587 /nfs/dbraw/zinc/02/05/87/387020587.db2.gz UGSXCGCEIKEEMD-JSGCOSHPSA-N 2 2 248.370 2.440 10 0 BEAELP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000053201262 387020590 /nfs/dbraw/zinc/02/05/90/387020590.db2.gz UGSXCGCEIKEEMD-JSGCOSHPSA-N 2 2 248.370 2.440 10 0 BEAELP Cc1csc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000400561891 387079970 /nfs/dbraw/zinc/07/99/70/387079970.db2.gz HYNXUHWOZDECCA-VWYCJHECSA-N 2 2 239.388 2.100 10 0 BEAELP C[N@@H+]1C[C@@H]([NH2+]Cc2ccccc2)CC1(C)C ZINC000575522636 387452098 /nfs/dbraw/zinc/45/20/98/387452098.db2.gz HMEZQTGDICWFDJ-ZDUSSCGKSA-N 2 2 218.344 2.259 10 0 BEAELP C[N@H+]1C[C@@H]([NH2+]Cc2ccccc2)CC1(C)C ZINC000575522636 387452101 /nfs/dbraw/zinc/45/21/01/387452101.db2.gz HMEZQTGDICWFDJ-ZDUSSCGKSA-N 2 2 218.344 2.259 10 0 BEAELP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cc(F)ccc1F ZINC000643458845 387828493 /nfs/dbraw/zinc/82/84/93/387828493.db2.gz XCBBAJBERKIRRI-RKDXNWHRSA-N 2 2 240.297 2.223 10 0 BEAELP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)C1C[NH2+]C1 ZINC000643458842 387829335 /nfs/dbraw/zinc/82/93/35/387829335.db2.gz XCBBAJBERKIRRI-BDAKNGLRSA-N 2 2 240.297 2.223 10 0 BEAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396634955 387926529 /nfs/dbraw/zinc/92/65/29/387926529.db2.gz KCSMBQDUQCVQRJ-ZOWXZIJZSA-N 2 2 248.370 2.486 10 0 BEAELP C[N@@H+]1CCCC[C@H]([NH3+])[C@H]1c1cccs1 ZINC000250556857 388177219 /nfs/dbraw/zinc/17/72/19/388177219.db2.gz BGMKFAOTMVIHHI-ONGXEEELSA-N 2 2 210.346 2.232 10 0 BEAELP C[N@H+]1CCCC[C@H]([NH3+])[C@H]1c1cccs1 ZINC000250556857 388177222 /nfs/dbraw/zinc/17/72/22/388177222.db2.gz BGMKFAOTMVIHHI-ONGXEEELSA-N 2 2 210.346 2.232 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)[C@H]1CC1(C)C ZINC000397599341 388482368 /nfs/dbraw/zinc/48/23/68/388482368.db2.gz LIMHIMMGZGTYIM-UPJWGTAASA-N 2 2 224.392 2.495 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)[C@H]1CC1(C)C ZINC000397599341 388482370 /nfs/dbraw/zinc/48/23/70/388482370.db2.gz LIMHIMMGZGTYIM-UPJWGTAASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000397801864 388500473 /nfs/dbraw/zinc/50/04/73/388500473.db2.gz MRTONOGBCPYHPC-WOPDTQHZSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000397801864 388500478 /nfs/dbraw/zinc/50/04/78/388500478.db2.gz MRTONOGBCPYHPC-WOPDTQHZSA-N 2 2 210.365 2.105 10 0 BEAELP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C2)c1 ZINC000328442716 388643460 /nfs/dbraw/zinc/64/34/60/388643460.db2.gz BABWVILDSLSWCQ-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C2)c1 ZINC000328442716 388643463 /nfs/dbraw/zinc/64/34/63/388643463.db2.gz BABWVILDSLSWCQ-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000252709513 388772037 /nfs/dbraw/zinc/77/20/37/388772037.db2.gz DBOSAVJNYGEVON-YPMHNXCESA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000252709513 388772040 /nfs/dbraw/zinc/77/20/40/388772040.db2.gz DBOSAVJNYGEVON-YPMHNXCESA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000556155903 388869525 /nfs/dbraw/zinc/86/95/25/388869525.db2.gz MJZWVFDKYJOWKA-RFQIPJPRSA-N 2 2 240.391 2.016 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000556155903 388869527 /nfs/dbraw/zinc/86/95/27/388869527.db2.gz MJZWVFDKYJOWKA-RFQIPJPRSA-N 2 2 240.391 2.016 10 0 BEAELP CC[NH+](CC)CCN1CCCc2cc([NH3+])ccc21 ZINC000019875241 132328696 /nfs/dbraw/zinc/32/86/96/132328696.db2.gz VKRXXFLKWSHTGI-UHFFFAOYSA-N 2 2 247.386 2.363 10 0 BEAELP C[NH2+][C@H]1CCN(c2ccc([NH+](C)C)cc2)C[C@H]1C ZINC000049711469 132357695 /nfs/dbraw/zinc/35/76/95/132357695.db2.gz LOKYWIBDDRIPSH-DOMZBBRYSA-N 2 2 247.386 2.187 10 0 BEAELP C[NH2+][C@H]1CCN(c2ccc([NH+](C)C)cc2)[C@H](C)C1 ZINC000049711487 132357768 /nfs/dbraw/zinc/35/77/68/132357768.db2.gz ITUSKGBASKHSAU-OLZOCXBDSA-N 2 2 247.386 2.329 10 0 BEAELP Cc1nc(N2CCCC[C@@H]2C[NH2+]C(C)C)cc[nH+]1 ZINC000054937616 132365089 /nfs/dbraw/zinc/36/50/89/132365089.db2.gz HXUQTVVPEBJRHN-CYBMUJFWSA-N 2 2 248.374 2.142 10 0 BEAELP [NH3+]C1CCN(c2ccc([NH+]3CCCC3)cc2)CC1 ZINC000057535260 132365819 /nfs/dbraw/zinc/36/58/19/132365819.db2.gz NEWUCWHBOYDVBB-UHFFFAOYSA-N 2 2 245.370 2.214 10 0 BEAELP CC1(C)CCN(c2cc[nH+]c(C[NH3+])c2)CC1 ZINC000061817970 132387229 /nfs/dbraw/zinc/38/72/29/132387229.db2.gz DUYPVTFGSRTKKT-UHFFFAOYSA-N 2 2 219.332 2.167 10 0 BEAELP C[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)[C@H]1C[NH3+] ZINC000252218475 133649230 /nfs/dbraw/zinc/64/92/30/133649230.db2.gz YJXVADPGWPLQJA-GWCFXTLKSA-N 2 2 244.342 2.127 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000227165782 134376236 /nfs/dbraw/zinc/37/62/36/134376236.db2.gz GDEYBYFOSMAWJU-BFHYXJOUSA-N 2 2 240.391 2.003 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000227165782 134376237 /nfs/dbraw/zinc/37/62/37/134376237.db2.gz GDEYBYFOSMAWJU-BFHYXJOUSA-N 2 2 240.391 2.003 10 0 BEAELP Cc1ncc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000261588404 135229159 /nfs/dbraw/zinc/22/91/59/135229159.db2.gz SJMPSYROOQKDHZ-NSHDSACASA-N 2 2 239.388 2.011 10 0 BEAELP Cc1ncc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000261588404 135229160 /nfs/dbraw/zinc/22/91/60/135229160.db2.gz SJMPSYROOQKDHZ-NSHDSACASA-N 2 2 239.388 2.011 10 0 BEAELP C[C@H]([NH2+]CC[NH2+]C(C)(C)C)c1cccnc1 ZINC000230969343 135573040 /nfs/dbraw/zinc/57/30/40/135573040.db2.gz YHPNSUPXZWWKSP-NSHDSACASA-N 2 2 221.348 2.120 10 0 BEAELP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)o1 ZINC000335401018 136094359 /nfs/dbraw/zinc/09/43/59/136094359.db2.gz UTWZKPWIUUIJAK-GHMZBOCLSA-N 2 2 237.347 2.103 10 0 BEAELP Cc1cnc([C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)o1 ZINC000335401018 136094360 /nfs/dbraw/zinc/09/43/60/136094360.db2.gz UTWZKPWIUUIJAK-GHMZBOCLSA-N 2 2 237.347 2.103 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000336653182 167028287 /nfs/dbraw/zinc/02/82/87/167028287.db2.gz GAGYLENCSHCRIL-VJTDZRGJSA-N 2 2 224.392 2.349 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000336653182 167028290 /nfs/dbraw/zinc/02/82/90/167028290.db2.gz GAGYLENCSHCRIL-VJTDZRGJSA-N 2 2 224.392 2.349 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000309671631 167030223 /nfs/dbraw/zinc/03/02/23/167030223.db2.gz KAHLJCRYRDGSKN-UPJWGTAASA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000309671631 167030226 /nfs/dbraw/zinc/03/02/26/167030226.db2.gz KAHLJCRYRDGSKN-UPJWGTAASA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000309330723 167030703 /nfs/dbraw/zinc/03/07/03/167030703.db2.gz HSQMEUJGSITHIQ-JHJVBQTASA-N 2 2 242.432 2.058 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000309330723 167030704 /nfs/dbraw/zinc/03/07/04/167030704.db2.gz HSQMEUJGSITHIQ-JHJVBQTASA-N 2 2 242.432 2.058 10 0 BEAELP CC(C)[NH2+]CC[NH+]1CCC2(CCC2)CC1 ZINC000309083811 167105693 /nfs/dbraw/zinc/10/56/93/167105693.db2.gz ULYUTVBGQNHAFT-UHFFFAOYSA-N 2 2 210.365 2.251 10 0 BEAELP CC(C)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000125251031 167135426 /nfs/dbraw/zinc/13/54/26/167135426.db2.gz FXWUUSRUFHBYBN-AWEZNQCLSA-N 2 2 220.360 2.157 10 0 BEAELP CC(C)OCCC[NH2+]CC[NH+]1CCC(C)CC1 ZINC000041626602 168181232 /nfs/dbraw/zinc/18/12/32/168181232.db2.gz DQHWLVQVTCPUID-UHFFFAOYSA-N 2 2 242.407 2.123 10 0 BEAELP CC1CC[NH+]([C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000023071619 168187589 /nfs/dbraw/zinc/18/75/89/168187589.db2.gz XELKFMCLAAPBCM-STQMWFEESA-N 2 2 210.365 2.378 10 0 BEAELP CCC(C)(C)[NH2+]C[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061936414 168298951 /nfs/dbraw/zinc/29/89/51/168298951.db2.gz GHQWSXWUQBGFHB-CHWSQXEVSA-N 2 2 242.407 2.264 10 0 BEAELP CCC(C)(C)[NH2+]C[C@@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000061936414 168298953 /nfs/dbraw/zinc/29/89/53/168298953.db2.gz GHQWSXWUQBGFHB-CHWSQXEVSA-N 2 2 242.407 2.264 10 0 BEAELP CC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CC[C@@H]1[NH3+] ZINC000122941419 411436335 /nfs/dbraw/zinc/43/63/35/411436335.db2.gz AFWNZTDBFYHYPX-MNOVXSKESA-N 2 2 244.342 2.127 10 0 BEAELP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)C(C)C ZINC000657330255 411467136 /nfs/dbraw/zinc/46/71/36/411467136.db2.gz SUPFELUHERPJCX-LBPRGKRZSA-N 2 2 209.337 2.253 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000328339209 170013711 /nfs/dbraw/zinc/01/37/11/170013711.db2.gz KIAZMQWXSLBHQD-CMPLNLGQSA-N 2 2 224.373 2.493 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000328339209 170013712 /nfs/dbraw/zinc/01/37/12/170013712.db2.gz KIAZMQWXSLBHQD-CMPLNLGQSA-N 2 2 224.373 2.493 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000328508649 170014771 /nfs/dbraw/zinc/01/47/71/170014771.db2.gz MNFAHWCGMQPNME-GXTWGEPZSA-N 2 2 218.344 2.431 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000328508649 170014773 /nfs/dbraw/zinc/01/47/73/170014773.db2.gz MNFAHWCGMQPNME-GXTWGEPZSA-N 2 2 218.344 2.431 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000328526655 170022336 /nfs/dbraw/zinc/02/23/36/170022336.db2.gz URFXFEJOHVXOQK-XDQVBPFNSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000328526655 170022337 /nfs/dbraw/zinc/02/23/37/170022337.db2.gz URFXFEJOHVXOQK-XDQVBPFNSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccsc2)C1 ZINC000328339212 170023058 /nfs/dbraw/zinc/02/30/58/170023058.db2.gz KIAZMQWXSLBHQD-PWSUYJOCSA-N 2 2 224.373 2.493 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccsc2)C1 ZINC000328339212 170023059 /nfs/dbraw/zinc/02/30/59/170023059.db2.gz KIAZMQWXSLBHQD-PWSUYJOCSA-N 2 2 224.373 2.493 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCCCC2)C1 ZINC000309055323 170030219 /nfs/dbraw/zinc/03/02/19/170030219.db2.gz UDIUNUBOGFKDCE-YPMHNXCESA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCCCC2)C1 ZINC000309055323 170030221 /nfs/dbraw/zinc/03/02/21/170030221.db2.gz UDIUNUBOGFKDCE-YPMHNXCESA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CCC2CC2)[C@@H](C)C1 ZINC000309959772 170036590 /nfs/dbraw/zinc/03/65/90/170036590.db2.gz KKYDHBHGWKIHKH-OBJOEFQTSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CCC2CC2)[C@@H](C)C1 ZINC000309959772 170036591 /nfs/dbraw/zinc/03/65/91/170036591.db2.gz KKYDHBHGWKIHKH-OBJOEFQTSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCC(C)C)C1 ZINC000309040222 170036984 /nfs/dbraw/zinc/03/69/84/170036984.db2.gz KRHCOTPRDBZNCR-QWHCGFSZSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCC(C)C)C1 ZINC000309040222 170036985 /nfs/dbraw/zinc/03/69/85/170036985.db2.gz KRHCOTPRDBZNCR-QWHCGFSZSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]C[C@]2(C)CCCS2)[C@@H](C)C1 ZINC000309955237 170037065 /nfs/dbraw/zinc/03/70/65/170037065.db2.gz IANZHFOYQPBCCB-AVGNSLFASA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]C[C@]2(C)CCCS2)[C@@H](C)C1 ZINC000309955237 170037066 /nfs/dbraw/zinc/03/70/66/170037066.db2.gz IANZHFOYQPBCCB-AVGNSLFASA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCCCC2)C1 ZINC000309055322 170037102 /nfs/dbraw/zinc/03/71/02/170037102.db2.gz UDIUNUBOGFKDCE-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCCCC2)C1 ZINC000309055322 170037103 /nfs/dbraw/zinc/03/71/03/170037103.db2.gz UDIUNUBOGFKDCE-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000336776758 170037653 /nfs/dbraw/zinc/03/76/53/170037653.db2.gz GOBZGWLUFJDPFT-QWHCGFSZSA-N 2 2 224.392 2.352 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000336776758 170037654 /nfs/dbraw/zinc/03/76/54/170037654.db2.gz GOBZGWLUFJDPFT-QWHCGFSZSA-N 2 2 224.392 2.352 10 0 BEAELP CC[NH2+]CCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000053531158 170113868 /nfs/dbraw/zinc/11/38/68/170113868.db2.gz NGBRFCZGCYBJIJ-UHFFFAOYSA-N 2 2 239.269 2.314 10 0 BEAELP CC[NH2+]C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000047944153 170122263 /nfs/dbraw/zinc/12/22/63/170122263.db2.gz IQVFBTPYXOVTAJ-HNNXBMFYSA-N 2 2 232.371 2.433 10 0 BEAELP CC[NH2+]C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000047944153 170122264 /nfs/dbraw/zinc/12/22/64/170122264.db2.gz IQVFBTPYXOVTAJ-HNNXBMFYSA-N 2 2 232.371 2.433 10 0 BEAELP CC[NH2+]Cc1csc(C[NH+]2CCCCC2)n1 ZINC000045206614 170130177 /nfs/dbraw/zinc/13/01/77/170130177.db2.gz HJQOVQVQAHHAFJ-UHFFFAOYSA-N 2 2 239.388 2.239 10 0 BEAELP CC[NH2+]Cc1sc(C[NH+](C)C)nc1C1CC1 ZINC000082436937 170132992 /nfs/dbraw/zinc/13/29/92/170132992.db2.gz NEKLBLDVANGJMQ-UHFFFAOYSA-N 2 2 239.388 2.192 10 0 BEAELP CC[NH2+][C@@H](CC[N@@H+]1CCO[C@H](C)C1)C(C)(C)C ZINC000054027079 170145032 /nfs/dbraw/zinc/14/50/32/170145032.db2.gz DNXJXDZRDWBEIU-OLZOCXBDSA-N 2 2 242.407 2.121 10 0 BEAELP CC[NH2+][C@@H](CC[N@H+]1CCO[C@H](C)C1)C(C)(C)C ZINC000054027079 170145034 /nfs/dbraw/zinc/14/50/34/170145034.db2.gz DNXJXDZRDWBEIU-OLZOCXBDSA-N 2 2 242.407 2.121 10 0 BEAELP CC[NH2+][C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000050270217 170162622 /nfs/dbraw/zinc/16/26/22/170162622.db2.gz WACXIBNWGSRJBF-SNVBAGLBSA-N 2 2 248.248 2.195 10 0 BEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1ccccc1F ZINC000035570415 170163439 /nfs/dbraw/zinc/16/34/39/170163439.db2.gz OVVUCSJRBBWMDE-LBPRGKRZSA-N 2 2 247.317 2.312 10 0 BEAELP CCOCC[N@@H+]1CCCC[C@H]1C[NH2+]CC(C)C ZINC000053653122 170397606 /nfs/dbraw/zinc/39/76/06/170397606.db2.gz GAUXCKBIVVQZGU-AWEZNQCLSA-N 2 2 242.407 2.123 10 0 BEAELP CCOCC[N@H+]1CCCC[C@H]1C[NH2+]CC(C)C ZINC000053653122 170397607 /nfs/dbraw/zinc/39/76/07/170397607.db2.gz GAUXCKBIVVQZGU-AWEZNQCLSA-N 2 2 242.407 2.123 10 0 BEAELP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000130186678 411578359 /nfs/dbraw/zinc/57/83/59/411578359.db2.gz JQEINCRBPNNGMV-AGIUHOORSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@H](C)[C@H]([NH3+])C[NH+]1Cc2ccccc2C1 ZINC000050912655 170795395 /nfs/dbraw/zinc/79/53/95/170795395.db2.gz UAVYIKWJJSDFOC-BXUZGUMPSA-N 2 2 218.344 2.376 10 0 BEAELP CC[C@@H]1CC[N@H+](Cc2cccc(OC)c2)CC[NH2+]1 ZINC000049662275 171012454 /nfs/dbraw/zinc/01/24/54/171012454.db2.gz OVODRDXUCGAUGH-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP CC[C@@H]1CC[N@@H+](Cc2cccc(OC)c2)CC[NH2+]1 ZINC000049662275 171012458 /nfs/dbraw/zinc/01/24/58/171012458.db2.gz OVODRDXUCGAUGH-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccco2)CC[NH2+]1 ZINC000049661999 171014333 /nfs/dbraw/zinc/01/43/33/171014333.db2.gz QIGLUBCTAOLPQJ-NWDGAFQWSA-N 2 2 222.332 2.415 10 0 BEAELP CC[C@@H]1CC[N@H+]([C@@H](C)c2ccco2)CC[NH2+]1 ZINC000049661999 171014335 /nfs/dbraw/zinc/01/43/35/171014335.db2.gz QIGLUBCTAOLPQJ-NWDGAFQWSA-N 2 2 222.332 2.415 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000336732101 171045111 /nfs/dbraw/zinc/04/51/11/171045111.db2.gz LCSJJMLSWAFDKQ-AGIUHOORSA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000336732101 171045113 /nfs/dbraw/zinc/04/51/13/171045113.db2.gz LCSJJMLSWAFDKQ-AGIUHOORSA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCC[C@H](C)C2)CCO1 ZINC000036769538 171098188 /nfs/dbraw/zinc/09/81/88/171098188.db2.gz KFYFCPDRAQEJQN-BFHYXJOUSA-N 2 2 240.391 2.005 10 0 BEAELP CC[C@@H]1C[N@H+]([C@]2(C[NH3+])CCC[C@H](C)C2)CCO1 ZINC000036769538 171098189 /nfs/dbraw/zinc/09/81/89/171098189.db2.gz KFYFCPDRAQEJQN-BFHYXJOUSA-N 2 2 240.391 2.005 10 0 BEAELP CC[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCCC[C@@H]2C)CCO1 ZINC000036769500 171098304 /nfs/dbraw/zinc/09/83/04/171098304.db2.gz WAVRCZNFOVLPME-MJBXVCDLSA-N 2 2 240.391 2.005 10 0 BEAELP CC[C@@H]1C[N@H+]([C@]2(C[NH3+])CCCC[C@@H]2C)CCO1 ZINC000036769500 171098306 /nfs/dbraw/zinc/09/83/06/171098306.db2.gz WAVRCZNFOVLPME-MJBXVCDLSA-N 2 2 240.391 2.005 10 0 BEAELP CC[C@@](C)(C[NH2+]C(C)C)C[N@H+]1CCO[C@H](C)C1 ZINC000051210681 171166812 /nfs/dbraw/zinc/16/68/12/171166812.db2.gz LULMEFCESDHKPN-KGLIPLIRSA-N 2 2 242.407 2.121 10 0 BEAELP CC[C@@](C)(C[NH2+]C(C)C)C[N@@H+]1CCO[C@H](C)C1 ZINC000051210681 171166810 /nfs/dbraw/zinc/16/68/10/171166810.db2.gz LULMEFCESDHKPN-KGLIPLIRSA-N 2 2 242.407 2.121 10 0 BEAELP CC[C@H](C)[N@H+](CC)[C@@H](C[NH3+])c1ccccn1 ZINC000037112764 171312423 /nfs/dbraw/zinc/31/24/23/171312423.db2.gz WJHPBOJLDWGGDM-AAEUAGOBSA-N 2 2 221.348 2.202 10 0 BEAELP CC[C@H](C)[N@@H+](CC)[C@@H](C[NH3+])c1ccccn1 ZINC000037112764 171312425 /nfs/dbraw/zinc/31/24/25/171312425.db2.gz WJHPBOJLDWGGDM-AAEUAGOBSA-N 2 2 221.348 2.202 10 0 BEAELP CC[C@H](C)[N@H+](CC[NH2+][C@@H](C)C1CC1)CCOC ZINC000053440494 171313258 /nfs/dbraw/zinc/31/32/58/171313258.db2.gz FITPLWBCXWXCQZ-STQMWFEESA-N 2 2 242.407 2.121 10 0 BEAELP CC[C@H](C)[N@@H+](CC[NH2+][C@@H](C)C1CC1)CCOC ZINC000053440494 171313260 /nfs/dbraw/zinc/31/32/60/171313260.db2.gz FITPLWBCXWXCQZ-STQMWFEESA-N 2 2 242.407 2.121 10 0 BEAELP CC[C@H](C)[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000020072526 171372194 /nfs/dbraw/zinc/37/21/94/171372194.db2.gz MGPIEJXAMLBJJD-JSGCOSHPSA-N 2 2 220.360 2.492 10 0 BEAELP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000020072526 171372195 /nfs/dbraw/zinc/37/21/95/171372195.db2.gz MGPIEJXAMLBJJD-JSGCOSHPSA-N 2 2 220.360 2.492 10 0 BEAELP CC[C@H](C)[C@@H]([NH3+])C[NH+]1Cc2ccccc2C1 ZINC000050912658 171372231 /nfs/dbraw/zinc/37/22/31/171372231.db2.gz UAVYIKWJJSDFOC-FZMZJTMJSA-N 2 2 218.344 2.376 10 0 BEAELP CCc1[nH+]c2ccccc2n1[C@H](C)C[NH3+] ZINC000057798920 172013645 /nfs/dbraw/zinc/01/36/45/172013645.db2.gz OLYFLQOOYMJBHA-SECBINFHSA-N 2 2 203.289 2.118 10 0 BEAELP CCn1c2ccc(C)cc2[nH+]c1C[C@@H](C)[NH3+] ZINC000037438058 172145251 /nfs/dbraw/zinc/14/52/51/172145251.db2.gz CWALMLPCELNYPV-SNVBAGLBSA-N 2 2 217.316 2.254 10 0 BEAELP CCn1cc[nH+]c1C[C@@H]([NH3+])c1ccccc1 ZINC000061881033 172225952 /nfs/dbraw/zinc/22/59/52/172225952.db2.gz YONHMCBIBIUZJZ-GFCCVEGCSA-N 2 2 215.300 2.146 10 0 BEAELP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309928625 172395629 /nfs/dbraw/zinc/39/56/29/172395629.db2.gz WUSMWLNVMGGBIO-VXGBXAGGSA-N 2 2 230.371 2.445 10 0 BEAELP C[N@H+]([C@H](C[NH3+])c1ccccn1)C1CCCCC1 ZINC000019263081 172598753 /nfs/dbraw/zinc/59/87/53/172598753.db2.gz FRROHQQZSDVGNK-CQSZACIVSA-N 2 2 233.359 2.346 10 0 BEAELP C[N@@H+]([C@H](C[NH3+])c1ccccn1)C1CCCCC1 ZINC000019263081 172598754 /nfs/dbraw/zinc/59/87/54/172598754.db2.gz FRROHQQZSDVGNK-CQSZACIVSA-N 2 2 233.359 2.346 10 0 BEAELP C[N@@H+]1CCCC[C@@H]1Cn1c[nH+]c2cc(N)ccc21 ZINC000052854190 173007118 /nfs/dbraw/zinc/00/71/18/173007118.db2.gz DDODHSRJCRPOIO-GFCCVEGCSA-N 2 2 244.342 2.103 10 0 BEAELP C[N@H+]1CCCC[C@@H]1Cn1c[nH+]c2cc(N)ccc21 ZINC000052854190 173007119 /nfs/dbraw/zinc/00/71/19/173007119.db2.gz DDODHSRJCRPOIO-GFCCVEGCSA-N 2 2 244.342 2.103 10 0 BEAELP C[N@@H+]1CCC[C@@]([NH3+])(c2ccc(Cl)cc2)C1 ZINC000140048565 173036356 /nfs/dbraw/zinc/03/63/56/173036356.db2.gz LUXUBCASEKFBTQ-LBPRGKRZSA-N 2 2 224.735 2.220 10 0 BEAELP C[N@H+]1CCC[C@@]([NH3+])(c2ccc(Cl)cc2)C1 ZINC000140048565 173036357 /nfs/dbraw/zinc/03/63/57/173036357.db2.gz LUXUBCASEKFBTQ-LBPRGKRZSA-N 2 2 224.735 2.220 10 0 BEAELP C[NH+](C)c1ccc(N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000076680482 173046724 /nfs/dbraw/zinc/04/67/24/173046724.db2.gz SDYUNAGOAVBPLA-ZDUSSCGKSA-N 2 2 233.359 2.259 10 0 BEAELP C[NH+](C)c1ccc(N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000076680482 173046725 /nfs/dbraw/zinc/04/67/25/173046725.db2.gz SDYUNAGOAVBPLA-ZDUSSCGKSA-N 2 2 233.359 2.259 10 0 BEAELP C[NH2+]CCCc1[nH]cc(-c2cc(C)oc2C)[nH+]1 ZINC000037611651 173351053 /nfs/dbraw/zinc/35/10/53/173351053.db2.gz DMTKJCKTISVWLS-UHFFFAOYSA-N 2 2 233.315 2.439 10 0 BEAELP C[NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)(C)CC1 ZINC000061823305 173361556 /nfs/dbraw/zinc/36/15/56/173361556.db2.gz TWGCGUZVOHZIME-LBPRGKRZSA-N 2 2 212.381 2.352 10 0 BEAELP C[NH2+]C[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373013 173364887 /nfs/dbraw/zinc/36/48/87/173364887.db2.gz GGARTMZBACEFPE-OCCSQVGLSA-N 2 2 218.344 2.084 10 0 BEAELP C[NH2+]C[C@@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373013 173364888 /nfs/dbraw/zinc/36/48/88/173364888.db2.gz GGARTMZBACEFPE-OCCSQVGLSA-N 2 2 218.344 2.084 10 0 BEAELP C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517392 173365155 /nfs/dbraw/zinc/36/51/55/173365155.db2.gz HSGDXEFLJURHHE-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP C[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517392 173365157 /nfs/dbraw/zinc/36/51/57/173365157.db2.gz HSGDXEFLJURHHE-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000042407901 173378166 /nfs/dbraw/zinc/37/81/66/173378166.db2.gz DLUSFRVNLXMRKL-GFCCVEGCSA-N 2 2 224.373 2.322 10 0 BEAELP C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000042407901 173378167 /nfs/dbraw/zinc/37/81/67/173378167.db2.gz DLUSFRVNLXMRKL-GFCCVEGCSA-N 2 2 224.373 2.322 10 0 BEAELP COC1CC[NH+]([C@@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000037265952 174031098 /nfs/dbraw/zinc/03/10/98/174031098.db2.gz XJSYQIDRUAJWIR-GXTWGEPZSA-N 2 2 240.391 2.005 10 0 BEAELP COC1CC[NH+]([C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000042901172 174031357 /nfs/dbraw/zinc/03/13/57/174031357.db2.gz FHQLPXSPCLINBR-WFASDCNBSA-N 2 2 248.370 2.186 10 0 BEAELP COCCC[N@H+](C)[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000062029286 174220363 /nfs/dbraw/zinc/22/03/63/174220363.db2.gz GUATVCWFYCWGFW-GXTWGEPZSA-N 2 2 236.359 2.043 10 0 BEAELP COCCC[N@@H+](C)[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000062029286 174220364 /nfs/dbraw/zinc/22/03/64/174220364.db2.gz GUATVCWFYCWGFW-GXTWGEPZSA-N 2 2 236.359 2.043 10 0 BEAELP COCC[N@H+]([C@@H](c1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000042902224 174284532 /nfs/dbraw/zinc/28/45/32/174284532.db2.gz BSEQKBFUDFFABR-IUODEOHRSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@@H+]([C@@H](c1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000042902224 174284533 /nfs/dbraw/zinc/28/45/33/174284533.db2.gz BSEQKBFUDFFABR-IUODEOHRSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@H+]([C@@H](C)C[NH2+]CCC(C)C)C1CC1 ZINC000053496533 174285623 /nfs/dbraw/zinc/28/56/23/174285623.db2.gz HJDJGCKPAMGSIF-ZDUSSCGKSA-N 2 2 242.407 2.121 10 0 BEAELP COCC[N@@H+]([C@@H](C)C[NH2+]CCC(C)C)C1CC1 ZINC000053496533 174285624 /nfs/dbraw/zinc/28/56/24/174285624.db2.gz HJDJGCKPAMGSIF-ZDUSSCGKSA-N 2 2 242.407 2.121 10 0 BEAELP COCC[N@H+](CC[NH2+]C(C)(C)C)[C@@H](C)C1CC1 ZINC000044415411 174292572 /nfs/dbraw/zinc/29/25/72/174292572.db2.gz ZWSBGPPVUUKOFF-LBPRGKRZSA-N 2 2 242.407 2.121 10 0 BEAELP COCC[N@@H+](CC[NH2+]C(C)(C)C)[C@@H](C)C1CC1 ZINC000044415411 174292574 /nfs/dbraw/zinc/29/25/74/174292574.db2.gz ZWSBGPPVUUKOFF-LBPRGKRZSA-N 2 2 242.407 2.121 10 0 BEAELP COc1ccc([NH2+]CCCn2cc[nH+]c2)cc1 ZINC000049327852 175150926 /nfs/dbraw/zinc/15/09/26/175150926.db2.gz KVILLJQDVRTGPN-UHFFFAOYSA-N 2 2 231.299 2.394 10 0 BEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C(C)C)cc1 ZINC000022219349 175178222 /nfs/dbraw/zinc/17/82/22/175178222.db2.gz MBUWDADBNXIAAV-CYBMUJFWSA-N 2 2 222.332 2.035 10 0 BEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C(C)C)cc1 ZINC000022219349 175178224 /nfs/dbraw/zinc/17/82/24/175178224.db2.gz MBUWDADBNXIAAV-CYBMUJFWSA-N 2 2 222.332 2.035 10 0 BEAELP COc1cccc(C[N@H+](CC[NH3+])CC(C)C)c1 ZINC000032090137 175256787 /nfs/dbraw/zinc/25/67/87/175256787.db2.gz NYZXBWFPCUNAOX-UHFFFAOYSA-N 2 2 236.359 2.112 10 0 BEAELP COc1cccc(C[N@@H+](CC[NH3+])CC(C)C)c1 ZINC000032090137 175256788 /nfs/dbraw/zinc/25/67/88/175256788.db2.gz NYZXBWFPCUNAOX-UHFFFAOYSA-N 2 2 236.359 2.112 10 0 BEAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](C)C2CC2)c1 ZINC000043026201 175296234 /nfs/dbraw/zinc/29/62/34/175296234.db2.gz NXTLNWWUAFRGCE-YGRLFVJLSA-N 2 2 234.343 2.178 10 0 BEAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)C2CC2)c1 ZINC000043026201 175296235 /nfs/dbraw/zinc/29/62/35/175296235.db2.gz NXTLNWWUAFRGCE-YGRLFVJLSA-N 2 2 234.343 2.178 10 0 BEAELP COc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000043097117 175349053 /nfs/dbraw/zinc/34/90/53/175349053.db2.gz ZNJWOMXYNQDUJL-IINYFYTJSA-N 2 2 234.343 2.178 10 0 BEAELP COc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000043097117 175349055 /nfs/dbraw/zinc/34/90/55/175349055.db2.gz ZNJWOMXYNQDUJL-IINYFYTJSA-N 2 2 234.343 2.178 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000111765797 175353217 /nfs/dbraw/zinc/35/32/17/175353217.db2.gz LMCYWDHXBDCWLA-OBJOEFQTSA-N 2 2 248.370 2.283 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000111765797 175353218 /nfs/dbraw/zinc/35/32/18/175353218.db2.gz LMCYWDHXBDCWLA-OBJOEFQTSA-N 2 2 248.370 2.283 10 0 BEAELP C[C@@H]([C@H]([NH3+])c1ccccc1)n1cc[nH+]c1 ZINC000023070823 176012046 /nfs/dbraw/zinc/01/20/46/176012046.db2.gz DCHONAQTARXODU-JQWIXIFHSA-N 2 2 201.273 2.144 10 0 BEAELP C[C@@H]1CCCC[C@@H]1[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000042606717 176078044 /nfs/dbraw/zinc/07/80/44/176078044.db2.gz NWYUYCAJYRMMJT-OLZOCXBDSA-N 2 2 240.391 2.005 10 0 BEAELP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000042606717 176078045 /nfs/dbraw/zinc/07/80/45/176078045.db2.gz NWYUYCAJYRMMJT-OLZOCXBDSA-N 2 2 240.391 2.005 10 0 BEAELP C[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+]1CCCSCC1 ZINC000042443614 176089933 /nfs/dbraw/zinc/08/99/33/176089933.db2.gz DJCVHWGKHFTUOL-CHWSQXEVSA-N 2 2 242.432 2.333 10 0 BEAELP C[C@@H]1CCCC[C@]1(C[NH3+])[N@H+]1CCCSCC1 ZINC000042443614 176089934 /nfs/dbraw/zinc/08/99/34/176089934.db2.gz DJCVHWGKHFTUOL-CHWSQXEVSA-N 2 2 242.432 2.333 10 0 BEAELP C[C@@H]1CCC[N@H+](CC2([NH3+])CCCC2)[C@@H]1C ZINC000050566831 176096903 /nfs/dbraw/zinc/09/69/03/176096903.db2.gz UTBJGROCQACRQA-VXGBXAGGSA-N 2 2 210.365 2.378 10 0 BEAELP C[C@@H]1CCC[N@@H+](CC2([NH3+])CCCC2)[C@@H]1C ZINC000050566831 176096904 /nfs/dbraw/zinc/09/69/04/176096904.db2.gz UTBJGROCQACRQA-VXGBXAGGSA-N 2 2 210.365 2.378 10 0 BEAELP C[C@@H]1CCC[C@H]([N@@H+]2CCC[NH2+][C@H](C)C2)C1 ZINC000062570378 176140306 /nfs/dbraw/zinc/14/03/06/176140306.db2.gz DSANCQKOGOSTQV-UPJWGTAASA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H]1CCC[C@H]([N@H+]2CCC[NH2+][C@H](C)C2)C1 ZINC000062570378 176140308 /nfs/dbraw/zinc/14/03/08/176140308.db2.gz DSANCQKOGOSTQV-UPJWGTAASA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccncc2)[C@H](C)C1 ZINC000051729715 176180062 /nfs/dbraw/zinc/18/00/62/176180062.db2.gz WLLHFHGHWJSODS-BZPMIXESSA-N 2 2 233.359 2.202 10 0 BEAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccncc2)[C@H](C)C1 ZINC000051729715 176180063 /nfs/dbraw/zinc/18/00/63/176180063.db2.gz WLLHFHGHWJSODS-BZPMIXESSA-N 2 2 233.359 2.202 10 0 BEAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000040717419 176180977 /nfs/dbraw/zinc/18/09/77/176180977.db2.gz CVBVRSHSADCDNJ-MFKMUULPSA-N 2 2 222.307 2.167 10 0 BEAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000040717419 176180978 /nfs/dbraw/zinc/18/09/78/176180978.db2.gz CVBVRSHSADCDNJ-MFKMUULPSA-N 2 2 222.307 2.167 10 0 BEAELP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1F ZINC000062611100 176185588 /nfs/dbraw/zinc/18/55/88/176185588.db2.gz KUKNQWPTSQEQQT-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1F ZINC000062611100 176185590 /nfs/dbraw/zinc/18/55/90/176185590.db2.gz KUKNQWPTSQEQQT-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000042944577 176766534 /nfs/dbraw/zinc/76/65/34/176766534.db2.gz QTPXZKPCJBDDKS-KWQFWETISA-N 2 2 212.724 2.290 10 0 BEAELP C[C@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2cccnc2)C1 ZINC000036771020 177143939 /nfs/dbraw/zinc/14/39/39/177143939.db2.gz HLWLDTCGRVYMLR-ZFWWWQNUSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2cccnc2)C1 ZINC000036771020 177143940 /nfs/dbraw/zinc/14/39/40/177143940.db2.gz HLWLDTCGRVYMLR-ZFWWWQNUSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CC[N@H+](Cc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000235673974 177165161 /nfs/dbraw/zinc/16/51/61/177165161.db2.gz MTWYKUKJOALOHN-WCQYABFASA-N 2 2 236.334 2.385 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000235673974 177165163 /nfs/dbraw/zinc/16/51/63/177165163.db2.gz MTWYKUKJOALOHN-WCQYABFASA-N 2 2 236.334 2.385 10 0 BEAELP C[C@H]1CC[N@H+](Cc2cccc(F)c2)CC[NH2+]1 ZINC000049661836 177165711 /nfs/dbraw/zinc/16/57/11/177165711.db2.gz QGQCWLYOFSCTDO-NSHDSACASA-N 2 2 222.307 2.010 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2cccc(F)c2)CC[NH2+]1 ZINC000049661836 177165713 /nfs/dbraw/zinc/16/57/13/177165713.db2.gz QGQCWLYOFSCTDO-NSHDSACASA-N 2 2 222.307 2.010 10 0 BEAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000042278840 177170311 /nfs/dbraw/zinc/17/03/11/177170311.db2.gz AHOKSVFUDDRJPY-GWCFXTLKSA-N 2 2 222.307 2.167 10 0 BEAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000042278840 177170313 /nfs/dbraw/zinc/17/03/13/177170313.db2.gz AHOKSVFUDDRJPY-GWCFXTLKSA-N 2 2 222.307 2.167 10 0 BEAELP C[C@H]1C[C@H](C)C[NH+]([C@@H](C[NH3+])c2ccco2)C1 ZINC000022221273 177358825 /nfs/dbraw/zinc/35/88/25/177358825.db2.gz VVOOBECOVUXKAR-SRVKXCTJSA-N 2 2 222.332 2.257 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000400443403 226343798 /nfs/dbraw/zinc/34/37/98/226343798.db2.gz OWJPPHQJXHGZSZ-FPMFFAJLSA-N 2 2 246.354 2.240 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2cccs2)C1 ZINC000328367618 487671201 /nfs/dbraw/zinc/67/12/01/487671201.db2.gz RIIGIGGMUQYKGQ-NWDGAFQWSA-N 2 2 238.400 2.363 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2cccs2)C1 ZINC000328367618 487671204 /nfs/dbraw/zinc/67/12/04/487671204.db2.gz RIIGIGGMUQYKGQ-NWDGAFQWSA-N 2 2 238.400 2.363 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000666466049 487814601 /nfs/dbraw/zinc/81/46/01/487814601.db2.gz KLWQDFLJWVDLTE-ZDUSSCGKSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000666466049 487814605 /nfs/dbraw/zinc/81/46/05/487814605.db2.gz KLWQDFLJWVDLTE-ZDUSSCGKSA-N 2 2 243.354 2.352 10 0 BEAELP C[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)[C@H]1C[NH3+] ZINC000252218476 487822911 /nfs/dbraw/zinc/82/29/11/487822911.db2.gz YJXVADPGWPLQJA-MFKMUULPSA-N 2 2 244.342 2.127 10 0 BEAELP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000401795103 487832972 /nfs/dbraw/zinc/83/29/72/487832972.db2.gz YHIPBHHSVYZHFQ-SGMGOOAPSA-N 2 2 246.354 2.098 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000050344421 487944683 /nfs/dbraw/zinc/94/46/83/487944683.db2.gz PSVSZUITJZZSOU-CMPLNLGQSA-N 2 2 224.373 2.493 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000050344421 487944690 /nfs/dbraw/zinc/94/46/90/487944690.db2.gz PSVSZUITJZZSOU-CMPLNLGQSA-N 2 2 224.373 2.493 10 0 BEAELP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396727753 323656277 /nfs/dbraw/zinc/65/62/77/323656277.db2.gz ZMCPVRFARAPPNX-OUCADQQQSA-N 2 2 248.370 2.486 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCC23CCC3)[C@@H](C)C1 ZINC000381706754 487521275 /nfs/dbraw/zinc/52/12/75/487521275.db2.gz JMRVHPFGYYEIFG-RWMBFGLXSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCC23CCC3)[C@@H](C)C1 ZINC000381706754 487521279 /nfs/dbraw/zinc/52/12/79/487521279.db2.gz JMRVHPFGYYEIFG-RWMBFGLXSA-N 2 2 222.376 2.249 10 0 BEAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2O ZINC000300409555 490560250 /nfs/dbraw/zinc/56/02/50/490560250.db2.gz GUIJFNHRAFCODD-FZMZJTMJSA-N 2 2 246.354 2.063 10 0 BEAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2O ZINC000300409555 490560254 /nfs/dbraw/zinc/56/02/54/490560254.db2.gz GUIJFNHRAFCODD-FZMZJTMJSA-N 2 2 246.354 2.063 10 0 BEAELP CCCC[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129432 582504030 /nfs/dbraw/zinc/50/40/30/582504030.db2.gz LNMPZGXVOHDALU-CQSZACIVSA-N 2 2 222.376 2.347 10 0 BEAELP CCCC[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129432 582504031 /nfs/dbraw/zinc/50/40/31/582504031.db2.gz LNMPZGXVOHDALU-CQSZACIVSA-N 2 2 222.376 2.347 10 0 BEAELP C[C@H]1[NH2+]CCC[C@@H]1[N@H+](C)C1CCCCC1 ZINC000396721493 583089417 /nfs/dbraw/zinc/08/94/17/583089417.db2.gz UDVHILGGRQWVIK-YPMHNXCESA-N 2 2 210.365 2.391 10 0 BEAELP C[C@H]1[NH2+]CCC[C@@H]1[N@@H+](C)C1CCCCC1 ZINC000396721493 583089420 /nfs/dbraw/zinc/08/94/20/583089420.db2.gz UDVHILGGRQWVIK-YPMHNXCESA-N 2 2 210.365 2.391 10 0 BEAELP C[C@@H]1C[C@]2(CC[N@@H+]1C)[NH2+]CCc1sccc12 ZINC000397268329 583099424 /nfs/dbraw/zinc/09/94/24/583099424.db2.gz CFHKSBXMPGRABL-MFKMUULPSA-N 2 2 236.384 2.203 10 0 BEAELP C[C@@H]1C[C@]2(CC[N@H+]1C)[NH2+]CCc1sccc12 ZINC000397268329 583099427 /nfs/dbraw/zinc/09/94/27/583099427.db2.gz CFHKSBXMPGRABL-MFKMUULPSA-N 2 2 236.384 2.203 10 0 BEAELP CC[C@H](C)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757126930 582501167 /nfs/dbraw/zinc/50/11/67/582501167.db2.gz HTGBPBRGLLGVKY-JSGCOSHPSA-N 2 2 222.376 2.345 10 0 BEAELP CC[C@H](C)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757126930 582501169 /nfs/dbraw/zinc/50/11/69/582501169.db2.gz HTGBPBRGLLGVKY-JSGCOSHPSA-N 2 2 222.376 2.345 10 0 BEAELP [NH3+][C@H]1CCC[NH2+][C@H]1c1cscc1C(F)F ZINC000757230011 586442194 /nfs/dbraw/zinc/44/21/94/586442194.db2.gz FTFHRDYORXMPER-IUCAKERBSA-N 2 2 232.299 2.438 10 0 BEAELP [NH3+][C@@H]1CC[C@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757238566 586444316 /nfs/dbraw/zinc/44/43/16/586444316.db2.gz STKGWHXSWJJGSY-HZGVNTEJSA-N 2 2 232.299 2.438 10 0 BEAELP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCSC1 ZINC000128244197 590949749 /nfs/dbraw/zinc/94/97/49/590949749.db2.gz GYZFIKILZAGKSO-QWHCGFSZSA-N 2 2 242.432 2.346 10 0 BEAELP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCSC1 ZINC000128244197 590949750 /nfs/dbraw/zinc/94/97/50/590949750.db2.gz GYZFIKILZAGKSO-QWHCGFSZSA-N 2 2 242.432 2.346 10 0 BEAELP C[C@@H](C[NH2+][C@@H]1CCCSC1)Cn1cc[nH+]c1 ZINC000134805588 591950701 /nfs/dbraw/zinc/95/07/01/591950701.db2.gz ZGIGVEFGTSLZKW-NWDGAFQWSA-N 2 2 239.388 2.004 10 0 BEAELP CCC[C@H](C)C[NH2+]CC[N@H+](C)C(C)C ZINC000054111023 635392043 /nfs/dbraw/zinc/39/20/43/635392043.db2.gz IXCWHPWUEKUXBA-LBPRGKRZSA-N 2 2 200.370 2.352 10 0 BEAELP CCC[C@H](C)C[NH2+]CC[N@@H+](C)C(C)C ZINC000054111023 635392048 /nfs/dbraw/zinc/39/20/48/635392048.db2.gz IXCWHPWUEKUXBA-LBPRGKRZSA-N 2 2 200.370 2.352 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H]2C(C)C)C1 ZINC000309903118 633921083 /nfs/dbraw/zinc/92/10/83/633921083.db2.gz ITQGUYMAASVVEV-RFQIPJPRSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H]2C(C)C)C1 ZINC000309903118 633921088 /nfs/dbraw/zinc/92/10/88/633921088.db2.gz ITQGUYMAASVVEV-RFQIPJPRSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000309921430 633942866 /nfs/dbraw/zinc/94/28/66/633942866.db2.gz SHGVIMVKEZIRAI-IGHBBLSQSA-N 2 2 222.376 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000309921430 633942872 /nfs/dbraw/zinc/94/28/72/633942872.db2.gz SHGVIMVKEZIRAI-IGHBBLSQSA-N 2 2 222.376 2.105 10 0 BEAELP c1cc(C[NH2+]CCC[NH+]2CCCCC2)co1 ZINC000062103460 641020285 /nfs/dbraw/zinc/02/02/85/641020285.db2.gz JHSOKOCOGMUCFL-UHFFFAOYSA-N 2 2 222.332 2.245 10 0 BEAELP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCSC(F)(F)F ZINC000123633199 641873492 /nfs/dbraw/zinc/87/34/92/641873492.db2.gz MLPGKLJNJYQEJN-HTQZYQBOSA-N 2 2 242.310 2.051 10 0 BEAELP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCSC(F)(F)F ZINC000123633199 641873494 /nfs/dbraw/zinc/87/34/94/641873494.db2.gz MLPGKLJNJYQEJN-HTQZYQBOSA-N 2 2 242.310 2.051 10 0 BEAELP [NH3+]CC[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC000211555104 711852802 /nfs/dbraw/zinc/85/28/02/711852802.db2.gz YJCPAEYKFKGUTF-UHFFFAOYSA-N 2 2 222.307 2.139 10 0 BEAELP [NH3+]CC[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC000211555104 711852803 /nfs/dbraw/zinc/85/28/03/711852803.db2.gz YJCPAEYKFKGUTF-UHFFFAOYSA-N 2 2 222.307 2.139 10 0 BEAELP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000044561879 1171392271 /nfs/dbraw/zinc/39/22/71/1171392271.db2.gz OAHCZRYJVNZRFH-OLZOCXBDSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000044561879 1171392281 /nfs/dbraw/zinc/39/22/81/1171392281.db2.gz OAHCZRYJVNZRFH-OLZOCXBDSA-N 2 2 212.381 2.495 10 0 BEAELP c1[nH]cc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000616612247 349508120 /nfs/dbraw/zinc/50/81/20/349508120.db2.gz ZSENSWPDVVMHCA-CYBMUJFWSA-N 2 2 227.311 2.399 10 0 BEAELP c1[nH]cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000616612247 349508122 /nfs/dbraw/zinc/50/81/22/349508122.db2.gz ZSENSWPDVVMHCA-CYBMUJFWSA-N 2 2 227.311 2.399 10 0 BEAELP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)c(C)s1 ZINC000335913203 178000625 /nfs/dbraw/zinc/00/06/25/178000625.db2.gz UXJHFHVAOUKHIS-JOYOIKCWSA-N 2 2 224.373 2.286 10 0 BEAELP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)c(C)s1 ZINC000335913203 178000627 /nfs/dbraw/zinc/00/06/27/178000627.db2.gz UXJHFHVAOUKHIS-JOYOIKCWSA-N 2 2 224.373 2.286 10 0 BEAELP Cc1cc(C[NH2+]CCc2[nH+]ccn2C)c(C)s1 ZINC000049687025 178023125 /nfs/dbraw/zinc/02/31/25/178023125.db2.gz KVDHXHLSQOFKBA-UHFFFAOYSA-N 2 2 249.383 2.431 10 0 BEAELP CCC[C@H](CC)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336664808 398178635 /nfs/dbraw/zinc/17/86/35/398178635.db2.gz CXQIQQZYRSKIPW-AVGNSLFASA-N 2 2 212.381 2.495 10 0 BEAELP CCC[C@H](CC)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336664808 398178638 /nfs/dbraw/zinc/17/86/38/398178638.db2.gz CXQIQQZYRSKIPW-AVGNSLFASA-N 2 2 212.381 2.495 10 0 BEAELP Cc1cc(N(C)c2cccc(C[NH3+])c2)nc(C)[nH+]1 ZINC000061951064 178102319 /nfs/dbraw/zinc/10/23/19/178102319.db2.gz KKGSOEWECQRDKD-UHFFFAOYSA-N 2 2 242.326 2.320 10 0 BEAELP Cc1cc(NC[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000044502921 178166764 /nfs/dbraw/zinc/16/67/64/178166764.db2.gz JZIIRJZIXAWSFU-GFCCVEGCSA-N 2 2 248.374 2.320 10 0 BEAELP Cc1cc([C@@H](C[NH3+])[NH+]2CCCC2)ccc1F ZINC000050545799 178236209 /nfs/dbraw/zinc/23/62/09/178236209.db2.gz PUGIYIVPUYKSIT-CYBMUJFWSA-N 2 2 222.307 2.230 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000336775723 398237634 /nfs/dbraw/zinc/23/76/34/398237634.db2.gz ZUJBQMXSZWRNJF-FRRDWIJNSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000336775723 398237638 /nfs/dbraw/zinc/23/76/38/398237638.db2.gz ZUJBQMXSZWRNJF-FRRDWIJNSA-N 2 2 224.392 2.495 10 0 BEAELP Cc1ccc(-c2c[nH]c(CCC[NH3+])[nH+]2)s1 ZINC000036874276 178317538 /nfs/dbraw/zinc/31/75/38/178317538.db2.gz PJOKUAXLYSQZNV-UHFFFAOYSA-N 2 2 221.329 2.338 10 0 BEAELP CCC(CC)[N@H+](CCOC)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042616018 168375250 /nfs/dbraw/zinc/37/52/50/168375250.db2.gz WPGVJAISNFLIGV-KBPBESRZSA-N 2 2 242.407 2.393 10 0 BEAELP CCC(CC)[N@@H+](CCOC)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042616018 168375253 /nfs/dbraw/zinc/37/52/53/168375253.db2.gz WPGVJAISNFLIGV-KBPBESRZSA-N 2 2 242.407 2.393 10 0 BEAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2cncs2)c[nH+]1 ZINC000188398811 538978458 /nfs/dbraw/zinc/97/84/58/538978458.db2.gz AJVVSZQYYCLKCY-LLVKDONJSA-N 2 2 248.355 2.004 10 0 BEAELP c1cn(C[C@H]2CCC[N@H+]2Cc2cncs2)c[nH+]1 ZINC000188398811 538978460 /nfs/dbraw/zinc/97/84/60/538978460.db2.gz AJVVSZQYYCLKCY-LLVKDONJSA-N 2 2 248.355 2.004 10 0 BEAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cncs2)c[nH+]1 ZINC000188398790 538978592 /nfs/dbraw/zinc/97/85/92/538978592.db2.gz AJVVSZQYYCLKCY-NSHDSACASA-N 2 2 248.355 2.004 10 0 BEAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2cncs2)c[nH+]1 ZINC000188398790 538978593 /nfs/dbraw/zinc/97/85/93/538978593.db2.gz AJVVSZQYYCLKCY-NSHDSACASA-N 2 2 248.355 2.004 10 0 BEAELP CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000020092026 342968766 /nfs/dbraw/zinc/96/87/66/342968766.db2.gz XZUSPJIKFBSHMU-AGIUHOORSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000020092026 342968768 /nfs/dbraw/zinc/96/87/68/342968768.db2.gz XZUSPJIKFBSHMU-AGIUHOORSA-N 2 2 212.381 2.495 10 0 BEAELP CC[NH+](CC)CC[NH2+]C[C@@H]1CC=CCC1 ZINC000020089695 342968808 /nfs/dbraw/zinc/96/88/08/342968808.db2.gz IZXVBBFLYJWRIA-CYBMUJFWSA-N 2 2 210.365 2.274 10 0 BEAELP Cc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)s1 ZINC000045946243 343013263 /nfs/dbraw/zinc/01/32/63/343013263.db2.gz LEETZFXPURUWGS-UHFFFAOYSA-N 2 2 221.329 2.112 10 0 BEAELP Cc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)s1 ZINC000045946243 343013264 /nfs/dbraw/zinc/01/32/64/343013264.db2.gz LEETZFXPURUWGS-UHFFFAOYSA-N 2 2 221.329 2.112 10 0 BEAELP C[C@H]1C[C@@]2(CC[N@@H+]1C)[NH2+]CCc1ccsc12 ZINC000712553351 537791709 /nfs/dbraw/zinc/79/17/09/537791709.db2.gz RCSQXFGBYHOGMZ-GXFFZTMASA-N 2 2 236.384 2.203 10 0 BEAELP C[C@H]1C[C@@]2(CC[N@H+]1C)[NH2+]CCc1ccsc12 ZINC000712553351 537791718 /nfs/dbraw/zinc/79/17/18/537791718.db2.gz RCSQXFGBYHOGMZ-GXFFZTMASA-N 2 2 236.384 2.203 10 0 BEAELP Cc1[nH+]cc([C@@H]2[NH2+]CCc3ccsc32)n1C ZINC000712523679 537790102 /nfs/dbraw/zinc/79/01/02/537790102.db2.gz PMJNMOWSTFJBBW-NSHDSACASA-N 2 2 233.340 2.025 10 0 BEAELP CCc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)s1 ZINC000300046934 344380511 /nfs/dbraw/zinc/38/05/11/344380511.db2.gz BDHYIKXLRKRZQV-JOYOIKCWSA-N 2 2 224.373 2.090 10 0 BEAELP CCc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)s1 ZINC000300046934 344380512 /nfs/dbraw/zinc/38/05/12/344380512.db2.gz BDHYIKXLRKRZQV-JOYOIKCWSA-N 2 2 224.373 2.090 10 0 BEAELP C[C@H](c1nccs1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000248081532 345032961 /nfs/dbraw/zinc/03/29/61/345032961.db2.gz PRAXBTLRTGCXAK-MNOVXSKESA-N 2 2 239.388 2.136 10 0 BEAELP C[C@H](c1nccs1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000248081532 345032964 /nfs/dbraw/zinc/03/29/64/345032964.db2.gz PRAXBTLRTGCXAK-MNOVXSKESA-N 2 2 239.388 2.136 10 0 BEAELP C[C@H](c1cccs1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC000247722740 345312019 /nfs/dbraw/zinc/31/20/19/345312019.db2.gz BWCOTXLGXJMJTJ-ZJUUUORDSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H](c1cccs1)[N@H+]1CCC[C@H]1C[NH3+] ZINC000247722740 345312022 /nfs/dbraw/zinc/31/20/22/345312022.db2.gz BWCOTXLGXJMJTJ-ZJUUUORDSA-N 2 2 210.346 2.232 10 0 BEAELP Cc1ccc([C@@H]([NH3+])Cc2[nH]cc[nH+]2)cc1C ZINC000036946876 178859428 /nfs/dbraw/zinc/85/94/28/178859428.db2.gz TXOPZRFQDFHSIF-LBPRGKRZSA-N 2 2 215.300 2.269 10 0 BEAELP c1coc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000097103953 537909757 /nfs/dbraw/zinc/90/97/57/537909757.db2.gz UNZVSOGFRUOCQF-GFCCVEGCSA-N 2 2 231.299 2.141 10 0 BEAELP c1coc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000097103953 537909766 /nfs/dbraw/zinc/90/97/66/537909766.db2.gz UNZVSOGFRUOCQF-GFCCVEGCSA-N 2 2 231.299 2.141 10 0 BEAELP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccc(Cl)c1 ZINC000074010470 537911486 /nfs/dbraw/zinc/91/14/86/537911486.db2.gz FHNAWGIPICODMB-NWDGAFQWSA-N 2 2 224.735 2.434 10 0 BEAELP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccc(Cl)c1 ZINC000074010470 537911494 /nfs/dbraw/zinc/91/14/94/537911494.db2.gz FHNAWGIPICODMB-NWDGAFQWSA-N 2 2 224.735 2.434 10 0 BEAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cc(F)cc(F)c1 ZINC000074001593 537912549 /nfs/dbraw/zinc/91/25/49/537912549.db2.gz PDEPJIGNWGLTQI-VXGBXAGGSA-N 2 2 226.270 2.059 10 0 BEAELP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cc(F)cc(F)c1 ZINC000074001593 537912555 /nfs/dbraw/zinc/91/25/55/537912555.db2.gz PDEPJIGNWGLTQI-VXGBXAGGSA-N 2 2 226.270 2.059 10 0 BEAELP CC(C)Oc1ccc[nH+]c1N(C)C1CC[NH2+]CC1 ZINC000034507862 345830096 /nfs/dbraw/zinc/83/00/96/345830096.db2.gz UHHJSHSRWUKCIP-UHFFFAOYSA-N 2 2 249.358 2.057 10 0 BEAELP c1[nH+]cn(Cc2ccccc2)c1[C@@H]1CCC[NH2+]C1 ZINC000217355205 346472382 /nfs/dbraw/zinc/47/23/82/346472382.db2.gz CQXFFLYILHBUJN-CQSZACIVSA-N 2 2 241.338 2.398 10 0 BEAELP CCC1CCC([NH2+]CC[N@H+](C)CC)CC1 ZINC000054109765 1172085787 /nfs/dbraw/zinc/08/57/87/1172085787.db2.gz CSQCEXAWJXEJQO-UHFFFAOYSA-N 2 2 212.381 2.497 10 0 BEAELP CCC1CCC([NH2+]CC[N@@H+](C)CC)CC1 ZINC000054109765 1172085794 /nfs/dbraw/zinc/08/57/94/1172085794.db2.gz CSQCEXAWJXEJQO-UHFFFAOYSA-N 2 2 212.381 2.497 10 0 BEAELP CCC[N@@H+]1CC[C@H]([NH3+])[C@H]1c1ccsc1 ZINC000250040133 362768662 /nfs/dbraw/zinc/76/86/62/362768662.db2.gz UJVFXUJJPZMMKH-WDEREUQCSA-N 2 2 210.346 2.232 10 0 BEAELP CCC[N@H+]1CC[C@H]([NH3+])[C@H]1c1ccsc1 ZINC000250040133 362768666 /nfs/dbraw/zinc/76/86/66/362768666.db2.gz UJVFXUJJPZMMKH-WDEREUQCSA-N 2 2 210.346 2.232 10 0 BEAELP Fc1cc[nH+]c(N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000585681312 346653729 /nfs/dbraw/zinc/65/37/29/346653729.db2.gz ANRZAFYJVFOKLF-UHFFFAOYSA-N 2 2 249.333 2.191 10 0 BEAELP CCCC(C[NH3+])(CCC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000036769527 168585101 /nfs/dbraw/zinc/58/51/01/168585101.db2.gz MTELIWYUCFQABQ-ZDUSSCGKSA-N 2 2 242.407 2.395 10 0 BEAELP CCCC(C[NH3+])(CCC)[N@H+]1CCO[C@@H](CC)C1 ZINC000036769527 168585102 /nfs/dbraw/zinc/58/51/02/168585102.db2.gz MTELIWYUCFQABQ-ZDUSSCGKSA-N 2 2 242.407 2.395 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250315582 349169193 /nfs/dbraw/zinc/16/91/93/349169193.db2.gz MJZWVFDKYJOWKA-CRWXNKLISA-N 2 2 240.391 2.016 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250315582 349169198 /nfs/dbraw/zinc/16/91/98/349169198.db2.gz MJZWVFDKYJOWKA-CRWXNKLISA-N 2 2 240.391 2.016 10 0 BEAELP c1cn(CCCC[NH2+][C@@H]2CCCSC2)c[nH+]1 ZINC000061589386 349376169 /nfs/dbraw/zinc/37/61/69/349376169.db2.gz ATAXUWOMYMXLQM-GFCCVEGCSA-N 2 2 239.388 2.149 10 0 BEAELP Cc1nc(NC2CC[NH2+]CC2)cc(C(C)C)[nH+]1 ZINC000045950879 180016095 /nfs/dbraw/zinc/01/60/95/180016095.db2.gz SMAPAKUHQCWMFL-UHFFFAOYSA-N 2 2 234.347 2.072 10 0 BEAELP Cc1[nH+]c2cc(C[NH3+])ccc2n1CC(C)C ZINC000062214010 180077560 /nfs/dbraw/zinc/07/75/60/180077560.db2.gz QCFYGQQBKMDOQI-UHFFFAOYSA-N 2 2 217.316 2.459 10 0 BEAELP Cc1[nH+]c2cc(C[NH3+])ccc2n1CC(F)(F)F ZINC000328579497 180077575 /nfs/dbraw/zinc/07/75/75/180077575.db2.gz LNHVQJJPQMUVFS-UHFFFAOYSA-N 2 2 243.232 2.366 10 0 BEAELP Cc1nc(NCc2ccc3c(c2)C[NH2+]C3)cc[nH+]1 ZINC000097829692 180200274 /nfs/dbraw/zinc/20/02/74/180200274.db2.gz LGTRAXQSBBLIQA-UHFFFAOYSA-N 2 2 240.310 2.000 10 0 BEAELP Cc1[nH+]cccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250896928 180228578 /nfs/dbraw/zinc/22/85/78/180228578.db2.gz WWMSYRVMYFQVHR-STQMWFEESA-N 2 2 231.343 2.429 10 0 BEAELP Cc1[nH+]cccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250896928 180228580 /nfs/dbraw/zinc/22/85/80/180228580.db2.gz WWMSYRVMYFQVHR-STQMWFEESA-N 2 2 231.343 2.429 10 0 BEAELP CCC(C)(C)c1[nH+]c2n(c1C[NH3+])CCCC2 ZINC000725259746 538080552 /nfs/dbraw/zinc/08/05/52/538080552.db2.gz HQIITGYBPKENRG-UHFFFAOYSA-N 2 2 221.348 2.366 10 0 BEAELP Cc1[nH+]cn(Cc2[nH+]ccn2C(C)C)c1C ZINC000264928459 180289835 /nfs/dbraw/zinc/28/98/35/180289835.db2.gz PBWSNGNYTRCKBG-UHFFFAOYSA-N 2 2 218.304 2.326 10 0 BEAELP Cc1[nH+]cn(-c2cc(Cl)ccc2C(N)=[NH2+])c1C ZINC000062789042 180284915 /nfs/dbraw/zinc/28/49/15/180284915.db2.gz LTCFYOVQTBHOAD-UHFFFAOYSA-N 2 2 248.717 2.427 10 0 BEAELP Cc1[nH+]cn(-c2ccc(C(N)=[NH2+])cc2Cl)c1C ZINC000062794382 180285588 /nfs/dbraw/zinc/28/55/88/180285588.db2.gz MLAWIRXZZVVMPW-UHFFFAOYSA-N 2 2 248.717 2.427 10 0 BEAELP CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616594806 350596876 /nfs/dbraw/zinc/59/68/76/350596876.db2.gz HQYLMVDUQBYNKP-GFCCVEGCSA-N 2 2 249.358 2.226 10 0 BEAELP CC(C)(C)[N@H+]1CCO[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616594806 350596878 /nfs/dbraw/zinc/59/68/78/350596878.db2.gz HQYLMVDUQBYNKP-GFCCVEGCSA-N 2 2 249.358 2.226 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cc2ccccc2cn1 ZINC000616607589 350800936 /nfs/dbraw/zinc/80/09/36/350800936.db2.gz JZRQWJGNTSYGEJ-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1cc2ccccc2cn1 ZINC000616607589 350800937 /nfs/dbraw/zinc/80/09/37/350800937.db2.gz JZRQWJGNTSYGEJ-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP CC(C)(C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000616617719 350873409 /nfs/dbraw/zinc/87/34/09/350873409.db2.gz GLVNWVZXBWKOPW-NSHDSACASA-N 2 2 207.321 2.319 10 0 BEAELP CC(C)(C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000616617719 350873413 /nfs/dbraw/zinc/87/34/13/350873413.db2.gz GLVNWVZXBWKOPW-NSHDSACASA-N 2 2 207.321 2.319 10 0 BEAELP CC(C)(C)[N@@H+]1CCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616617898 350877679 /nfs/dbraw/zinc/87/76/79/350877679.db2.gz MREYOBQIZFGOGH-LBPRGKRZSA-N 2 2 233.359 2.472 10 0 BEAELP CC(C)(C)[N@H+]1CCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616617898 350877680 /nfs/dbraw/zinc/87/76/80/350877680.db2.gz MREYOBQIZFGOGH-LBPRGKRZSA-N 2 2 233.359 2.472 10 0 BEAELP C[C@H](C[NH3+])[N@@H+]1CCc2sccc2[C@H]1C ZINC000251208233 350892798 /nfs/dbraw/zinc/89/27/98/350892798.db2.gz IWBFHRBBYDXTBC-RKDXNWHRSA-N 2 2 210.346 2.014 10 0 BEAELP C[C@H](C[NH3+])[N@H+]1CCc2sccc2[C@H]1C ZINC000251208233 350892801 /nfs/dbraw/zinc/89/28/01/350892801.db2.gz IWBFHRBBYDXTBC-RKDXNWHRSA-N 2 2 210.346 2.014 10 0 BEAELP CC[N@H+](Cc1ccccc1)[C@H](C)C[NH2+]C ZINC000052443696 351001192 /nfs/dbraw/zinc/00/11/92/351001192.db2.gz LDTFNYNPBSVZGH-GFCCVEGCSA-N 2 2 206.333 2.116 10 0 BEAELP CC[N@@H+](Cc1ccccc1)[C@H](C)C[NH2+]C ZINC000052443696 351001194 /nfs/dbraw/zinc/00/11/94/351001194.db2.gz LDTFNYNPBSVZGH-GFCCVEGCSA-N 2 2 206.333 2.116 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1cccc2cnccc21 ZINC000616630923 351104304 /nfs/dbraw/zinc/10/43/04/351104304.db2.gz CYIBWFXUFNKQSR-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H]1c1cccc2cnccc21 ZINC000616630923 351104307 /nfs/dbraw/zinc/10/43/07/351104307.db2.gz CYIBWFXUFNKQSR-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000252112649 363123820 /nfs/dbraw/zinc/12/38/20/363123820.db2.gz JTOHFWFQBVOXBU-UPJWGTAASA-N 2 2 244.448 2.446 10 0 BEAELP CC(C)(C[NH3+])[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036809712 188103859 /nfs/dbraw/zinc/10/38/59/188103859.db2.gz HUPIHLKBRQHGCR-NWDGAFQWSA-N 2 2 210.365 2.236 10 0 BEAELP CC(C)(C[NH3+])[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036809712 188103860 /nfs/dbraw/zinc/10/38/60/188103860.db2.gz HUPIHLKBRQHGCR-NWDGAFQWSA-N 2 2 210.365 2.236 10 0 BEAELP CC(C)C[C@](C)(C[NH3+])[N@H+](C)Cc1ccncc1 ZINC000036775739 188112657 /nfs/dbraw/zinc/11/26/57/188112657.db2.gz UDIDZHHHYCVDFT-CQSZACIVSA-N 2 2 235.375 2.277 10 0 BEAELP CC(C)C[C@](C)(C[NH3+])[N@@H+](C)Cc1ccncc1 ZINC000036775739 188112659 /nfs/dbraw/zinc/11/26/59/188112659.db2.gz UDIDZHHHYCVDFT-CQSZACIVSA-N 2 2 235.375 2.277 10 0 BEAELP Cc1ccc(C)c(C[N@H+](C)CC[NH2+]C2CC2)c1 ZINC000042691245 188120304 /nfs/dbraw/zinc/12/03/04/188120304.db2.gz PFVJCBYMUWUELE-UHFFFAOYSA-N 2 2 232.371 2.487 10 0 BEAELP Cc1ccc(C)c(C[N@@H+](C)CC[NH2+]C2CC2)c1 ZINC000042691245 188120305 /nfs/dbraw/zinc/12/03/05/188120305.db2.gz PFVJCBYMUWUELE-UHFFFAOYSA-N 2 2 232.371 2.487 10 0 BEAELP CC(C)[C@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000022210840 188179731 /nfs/dbraw/zinc/17/97/31/188179731.db2.gz FOLNOKVPQOGRCT-NSHDSACASA-N 2 2 224.373 2.090 10 0 BEAELP CC(C)[C@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000022210840 188179732 /nfs/dbraw/zinc/17/97/32/188179732.db2.gz FOLNOKVPQOGRCT-NSHDSACASA-N 2 2 224.373 2.090 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000040502462 358493949 /nfs/dbraw/zinc/49/39/49/358493949.db2.gz JELFVAGICDKGQI-UONOGXRCSA-N 2 2 222.376 2.417 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000040502462 358493952 /nfs/dbraw/zinc/49/39/52/358493952.db2.gz JELFVAGICDKGQI-UONOGXRCSA-N 2 2 222.376 2.417 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000389253303 355937084 /nfs/dbraw/zinc/93/70/84/355937084.db2.gz NBMJIGSRIKSJBC-AWEZNQCLSA-N 2 2 248.370 2.193 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000389253303 355937086 /nfs/dbraw/zinc/93/70/86/355937086.db2.gz NBMJIGSRIKSJBC-AWEZNQCLSA-N 2 2 248.370 2.193 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000389421817 356656955 /nfs/dbraw/zinc/65/69/55/356656955.db2.gz VORQFCKPMIDUPW-WUKHSURWSA-N 2 2 230.355 2.384 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000389421817 356656957 /nfs/dbraw/zinc/65/69/57/356656957.db2.gz VORQFCKPMIDUPW-WUKHSURWSA-N 2 2 230.355 2.384 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000389545595 356986674 /nfs/dbraw/zinc/98/66/74/356986674.db2.gz LYJPZKVNPJGQTN-AWEZNQCLSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000389545595 356986675 /nfs/dbraw/zinc/98/66/75/356986675.db2.gz LYJPZKVNPJGQTN-AWEZNQCLSA-N 2 2 243.354 2.352 10 0 BEAELP CC1(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000390449768 357093714 /nfs/dbraw/zinc/09/37/14/357093714.db2.gz ZDIGBASLAHOGSC-NSHDSACASA-N 2 2 219.332 2.150 10 0 BEAELP Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000050577319 357737669 /nfs/dbraw/zinc/73/76/69/357737669.db2.gz VBZFAFOXZXHGSL-CQSZACIVSA-N 2 2 236.334 2.318 10 0 BEAELP Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000050577319 357737672 /nfs/dbraw/zinc/73/76/72/357737672.db2.gz VBZFAFOXZXHGSL-CQSZACIVSA-N 2 2 236.334 2.318 10 0 BEAELP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1F ZINC000054764736 358872246 /nfs/dbraw/zinc/87/22/46/358872246.db2.gz ZJIPNBGOYXAFSZ-SECBINFHSA-N 2 2 249.289 2.408 10 0 BEAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cccc(O)c1 ZINC000396637446 358942501 /nfs/dbraw/zinc/94/25/01/358942501.db2.gz AKIAJWFKZSFLDV-MJVIPROJSA-N 2 2 234.343 2.183 10 0 BEAELP CC[N@@H+](Cc1ccccc1)C[C@H](C)[NH2+]C ZINC000054077066 359002770 /nfs/dbraw/zinc/00/27/70/359002770.db2.gz UVTQRYLGMXSYDD-LBPRGKRZSA-N 2 2 206.333 2.116 10 0 BEAELP CC[N@H+](Cc1ccccc1)C[C@H](C)[NH2+]C ZINC000054077066 359002777 /nfs/dbraw/zinc/00/27/77/359002777.db2.gz UVTQRYLGMXSYDD-LBPRGKRZSA-N 2 2 206.333 2.116 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309035662 491142968 /nfs/dbraw/zinc/14/29/68/491142968.db2.gz HXXQQPXGOAOECU-PWSUYJOCSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309035662 491142969 /nfs/dbraw/zinc/14/29/69/491142969.db2.gz HXXQQPXGOAOECU-PWSUYJOCSA-N 2 2 210.365 2.105 10 0 BEAELP C[C@H]1CC[N@H+](Cc2cc[nH]c2)C[C@@H]1n1cc[nH+]c1 ZINC000091960649 360138318 /nfs/dbraw/zinc/13/83/18/360138318.db2.gz NDKNSLMEBJESOY-JSGCOSHPSA-N 2 2 244.342 2.294 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2cc[nH]c2)C[C@@H]1n1cc[nH+]c1 ZINC000091960649 360138325 /nfs/dbraw/zinc/13/83/25/360138325.db2.gz NDKNSLMEBJESOY-JSGCOSHPSA-N 2 2 244.342 2.294 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000309975087 491159199 /nfs/dbraw/zinc/15/91/99/491159199.db2.gz SCYQNWHKTVGTAA-OUCADQQQSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000309975087 491159200 /nfs/dbraw/zinc/15/92/00/491159200.db2.gz SCYQNWHKTVGTAA-OUCADQQQSA-N 2 2 224.392 2.495 10 0 BEAELP CC(C)C[NH2+]CC1CC(n2cc[nH+]c2)C1 ZINC000725269739 541339233 /nfs/dbraw/zinc/33/92/33/541339233.db2.gz YCKPXETWJFRSBX-UHFFFAOYSA-N 2 2 207.321 2.080 10 0 BEAELP CC[C@@H]1[NH2+]CC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000630528698 364215986 /nfs/dbraw/zinc/21/59/86/364215986.db2.gz MCIRHCOCGBLDMW-JOYOIKCWSA-N 2 2 230.315 2.115 10 0 BEAELP C[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@@H]1C[NH3+] ZINC000630554561 364251021 /nfs/dbraw/zinc/25/10/21/364251021.db2.gz QJERJEYWHMVQFK-YPMHNXCESA-N 2 2 241.338 2.266 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000233490983 541383854 /nfs/dbraw/zinc/38/38/54/541383854.db2.gz OASFTTQHRYHCSC-HZSPNIEDSA-N 2 2 240.391 2.018 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000233490983 541383860 /nfs/dbraw/zinc/38/38/60/541383860.db2.gz OASFTTQHRYHCSC-HZSPNIEDSA-N 2 2 240.391 2.018 10 0 BEAELP [NH3+]CCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000058012128 181381439 /nfs/dbraw/zinc/38/14/39/181381439.db2.gz YCYPPKPVHGWCJC-UHFFFAOYSA-N 2 2 210.708 2.004 10 0 BEAELP [NH3+]CCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000058012128 181381440 /nfs/dbraw/zinc/38/14/40/181381440.db2.gz YCYPPKPVHGWCJC-UHFFFAOYSA-N 2 2 210.708 2.004 10 0 BEAELP [NH3+]CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000037712368 181397699 /nfs/dbraw/zinc/39/76/99/181397699.db2.gz MTTLLLIDWCKYQR-HNNXBMFYSA-N 2 2 244.313 2.463 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000581595159 367622213 /nfs/dbraw/zinc/62/22/13/367622213.db2.gz SDBAULYHZFCJTH-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000581595159 367622220 /nfs/dbraw/zinc/62/22/20/367622220.db2.gz SDBAULYHZFCJTH-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)[NH2+]C[C@H](C)[NH2+]Cc1ccccc1 ZINC000162333008 371660293 /nfs/dbraw/zinc/66/02/93/371660293.db2.gz UXFAQUPFHJWZMV-LBPRGKRZSA-N 2 2 206.333 2.163 10 0 BEAELP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc(C)c1O ZINC000040672615 373590665 /nfs/dbraw/zinc/59/06/65/373590665.db2.gz SZTLMEKOSMRTAR-CQSZACIVSA-N 2 2 248.370 2.193 10 0 BEAELP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc(C)c1O ZINC000040672615 373590672 /nfs/dbraw/zinc/59/06/72/373590672.db2.gz SZTLMEKOSMRTAR-CQSZACIVSA-N 2 2 248.370 2.193 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccc(C)s1 ZINC000069799722 373807814 /nfs/dbraw/zinc/80/78/14/373807814.db2.gz KMRQUXJYTMNNNO-MWLCHTKSSA-N 2 2 210.346 2.151 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccc(C)s1 ZINC000069799722 373807816 /nfs/dbraw/zinc/80/78/16/373807816.db2.gz KMRQUXJYTMNNNO-MWLCHTKSSA-N 2 2 210.346 2.151 10 0 BEAELP CCCC[C@H]([NH3+])C[N@H+](C)CCc1ccncc1 ZINC000048260213 169008451 /nfs/dbraw/zinc/00/84/51/169008451.db2.gz AYOZBAWVKSOEHN-AWEZNQCLSA-N 2 2 235.375 2.073 10 0 BEAELP CCCC[C@H]([NH3+])C[N@@H+](C)CCc1ccncc1 ZINC000048260213 169008453 /nfs/dbraw/zinc/00/84/53/169008453.db2.gz AYOZBAWVKSOEHN-AWEZNQCLSA-N 2 2 235.375 2.073 10 0 BEAELP CCC[N@H+](C)[C@H](C[NH3+])c1cccc(OC)c1 ZINC000020225827 169087733 /nfs/dbraw/zinc/08/77/33/169087733.db2.gz LAKNMAPIRXSXKS-CYBMUJFWSA-N 2 2 222.332 2.037 10 0 BEAELP CCC[N@@H+](C)[C@H](C[NH3+])c1cccc(OC)c1 ZINC000020225827 169087735 /nfs/dbraw/zinc/08/77/35/169087735.db2.gz LAKNMAPIRXSXKS-CYBMUJFWSA-N 2 2 222.332 2.037 10 0 BEAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccccc1OC ZINC000020225777 169088265 /nfs/dbraw/zinc/08/82/65/169088265.db2.gz INCSWTVDXOQLSH-GFCCVEGCSA-N 2 2 222.332 2.037 10 0 BEAELP CCC[N@@H+](C)[C@H](C[NH3+])c1ccccc1OC ZINC000020225777 169088267 /nfs/dbraw/zinc/08/82/67/169088267.db2.gz INCSWTVDXOQLSH-GFCCVEGCSA-N 2 2 222.332 2.037 10 0 BEAELP CCC[N@H+](CC[NH3+])Cc1ccccc1C ZINC000032011642 169157896 /nfs/dbraw/zinc/15/78/96/169157896.db2.gz NXDVNYAZWZOLTI-UHFFFAOYSA-N 2 2 206.333 2.166 10 0 BEAELP CCC[N@@H+](CC[NH3+])Cc1ccccc1C ZINC000032011642 169157897 /nfs/dbraw/zinc/15/78/97/169157897.db2.gz NXDVNYAZWZOLTI-UHFFFAOYSA-N 2 2 206.333 2.166 10 0 BEAELP CCC[N@H+](Cc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000104330831 169179664 /nfs/dbraw/zinc/17/96/64/169179664.db2.gz AZELADFPCZKUAI-CQSZACIVSA-N 2 2 233.359 2.046 10 0 BEAELP CCC[N@@H+](Cc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000104330831 169179666 /nfs/dbraw/zinc/17/96/66/169179666.db2.gz AZELADFPCZKUAI-CQSZACIVSA-N 2 2 233.359 2.046 10 0 BEAELP CCC[N@@H+]1Cc2ccccc2C[C@@H]1C[NH2+]C ZINC000051860069 169211340 /nfs/dbraw/zinc/21/13/40/169211340.db2.gz WIBSCYUYTAVTLY-CQSZACIVSA-N 2 2 218.344 2.043 10 0 BEAELP CCC[N@H+]1Cc2ccccc2C[C@@H]1C[NH2+]C ZINC000051860069 169211341 /nfs/dbraw/zinc/21/13/41/169211341.db2.gz WIBSCYUYTAVTLY-CQSZACIVSA-N 2 2 218.344 2.043 10 0 BEAELP CCC[NH2+]C[C@@H]1CCCC[N@@H+]1CCOC(C)C ZINC000053651334 169262001 /nfs/dbraw/zinc/26/20/01/169262001.db2.gz QSRYAYZKLPKYDE-AWEZNQCLSA-N 2 2 242.407 2.266 10 0 BEAELP CCC[NH2+]C[C@@H]1CCCC[N@H+]1CCOC(C)C ZINC000053651334 169262004 /nfs/dbraw/zinc/26/20/04/169262004.db2.gz QSRYAYZKLPKYDE-AWEZNQCLSA-N 2 2 242.407 2.266 10 0 BEAELP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1CCOCC ZINC000111712150 169286459 /nfs/dbraw/zinc/28/64/59/169286459.db2.gz IUXINOUYLROXQS-KGLIPLIRSA-N 2 2 242.407 2.266 10 0 BEAELP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1CCOCC ZINC000111712150 169286461 /nfs/dbraw/zinc/28/64/61/169286461.db2.gz IUXINOUYLROXQS-KGLIPLIRSA-N 2 2 242.407 2.266 10 0 BEAELP CCC[NH2+][C@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000050270451 169288795 /nfs/dbraw/zinc/28/87/95/169288795.db2.gz XZJGSBSLZVUIQL-LLVKDONJSA-N 2 2 244.285 2.287 10 0 BEAELP CCC[NH2+]C[C@H](CC)[NH+]1CCC(OCC)CC1 ZINC000052483952 169263368 /nfs/dbraw/zinc/26/33/68/169263368.db2.gz QHNJHYGWWAGBSP-ZDUSSCGKSA-N 2 2 242.407 2.266 10 0 BEAELP c1[nH]cc(CC[NH2+]CCCc2ccccc2)[nH+]1 ZINC000034062653 183391604 /nfs/dbraw/zinc/39/16/04/183391604.db2.gz UVSBNWZCSOFKHO-UHFFFAOYSA-N 2 2 229.327 2.175 10 0 BEAELP c1[nH]c(CC[NH2+]CCCc2ccccc2)c[nH+]1 ZINC000034062653 183391605 /nfs/dbraw/zinc/39/16/05/183391605.db2.gz UVSBNWZCSOFKHO-UHFFFAOYSA-N 2 2 229.327 2.175 10 0 BEAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000040671118 183392995 /nfs/dbraw/zinc/39/29/95/183392995.db2.gz FPEHZMHCXHIALS-INIZCTEOSA-N 2 2 244.382 2.303 10 0 BEAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000040671118 183393000 /nfs/dbraw/zinc/39/30/00/183393000.db2.gz FPEHZMHCXHIALS-INIZCTEOSA-N 2 2 244.382 2.303 10 0 BEAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC000040671120 183393021 /nfs/dbraw/zinc/39/30/21/183393021.db2.gz FPEHZMHCXHIALS-MRXNPFEDSA-N 2 2 244.382 2.303 10 0 BEAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC000040671120 183393022 /nfs/dbraw/zinc/39/30/22/183393022.db2.gz FPEHZMHCXHIALS-MRXNPFEDSA-N 2 2 244.382 2.303 10 0 BEAELP CCC[NH2+][C@@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000043814911 169274814 /nfs/dbraw/zinc/27/48/14/169274814.db2.gz KWKJUYSOSSASRD-ZDUSSCGKSA-N 2 2 232.371 2.433 10 0 BEAELP CCC[NH2+][C@@H](C)C[N@H+]1CCc2ccccc2C1 ZINC000043814911 169274816 /nfs/dbraw/zinc/27/48/16/169274816.db2.gz KWKJUYSOSSASRD-ZDUSSCGKSA-N 2 2 232.371 2.433 10 0 BEAELP CCCO[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000042425476 169312495 /nfs/dbraw/zinc/31/24/95/169312495.db2.gz QNLDLBJGPCNSEF-ZIAGYGMSSA-N 2 2 242.407 2.251 10 0 BEAELP CCCO[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000042425476 169312497 /nfs/dbraw/zinc/31/24/97/169312497.db2.gz QNLDLBJGPCNSEF-ZIAGYGMSSA-N 2 2 242.407 2.251 10 0 BEAELP CCCOc1ccc([C@@H]([C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000071547425 169321883 /nfs/dbraw/zinc/32/18/83/169321883.db2.gz XJAFDMNGPANFNY-SMDDNHRTSA-N 2 2 236.359 2.425 10 0 BEAELP CCCOc1cccc([C@@H](C[NH3+])[N@H+](C)CC)c1 ZINC000020226612 169325849 /nfs/dbraw/zinc/32/58/49/169325849.db2.gz MKCQDGKYOIHKGI-CQSZACIVSA-N 2 2 236.359 2.427 10 0 BEAELP CCCOc1cccc([C@@H](C[NH3+])[N@@H+](C)CC)c1 ZINC000020226612 169325850 /nfs/dbraw/zinc/32/58/50/169325850.db2.gz MKCQDGKYOIHKGI-CQSZACIVSA-N 2 2 236.359 2.427 10 0 BEAELP CCCOc1cccc([C@H](C[NH3+])[N@H+](C)CC)c1 ZINC000020226613 169326068 /nfs/dbraw/zinc/32/60/68/169326068.db2.gz MKCQDGKYOIHKGI-AWEZNQCLSA-N 2 2 236.359 2.427 10 0 BEAELP CCCOc1cccc([C@H](C[NH3+])[N@@H+](C)CC)c1 ZINC000020226613 169326070 /nfs/dbraw/zinc/32/60/70/169326070.db2.gz MKCQDGKYOIHKGI-AWEZNQCLSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044685387 169360883 /nfs/dbraw/zinc/36/08/83/169360883.db2.gz VJPJBAWQXWHFKB-NEPJUHHUSA-N 2 2 210.365 2.249 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044685387 169360885 /nfs/dbraw/zinc/36/08/85/169360885.db2.gz VJPJBAWQXWHFKB-NEPJUHHUSA-N 2 2 210.365 2.249 10 0 BEAELP CCCc1cc(N2CC[C@@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000045954599 169566391 /nfs/dbraw/zinc/56/63/91/169566391.db2.gz QNAKMBCHHLPNOS-LLVKDONJSA-N 2 2 248.374 2.090 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000348149546 383900121 /nfs/dbraw/zinc/90/01/21/383900121.db2.gz KDASVDATUQJTTP-UZGDPCLZSA-N 2 2 222.376 2.247 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000348149546 383900128 /nfs/dbraw/zinc/90/01/28/383900128.db2.gz KDASVDATUQJTTP-UZGDPCLZSA-N 2 2 222.376 2.247 10 0 BEAELP FCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000132868870 384257736 /nfs/dbraw/zinc/25/77/36/384257736.db2.gz RIMLPJQAWQIFCJ-LBPRGKRZSA-N 2 2 237.322 2.175 10 0 BEAELP FCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000132868870 384257740 /nfs/dbraw/zinc/25/77/40/384257740.db2.gz RIMLPJQAWQIFCJ-LBPRGKRZSA-N 2 2 237.322 2.175 10 0 BEAELP C[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1ccco1 ZINC000095068310 384330148 /nfs/dbraw/zinc/33/01/48/384330148.db2.gz JCBLCHTZHBNZCG-DCAQKATOSA-N 2 2 208.305 2.200 10 0 BEAELP C[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1ccccn1 ZINC000095068318 384330329 /nfs/dbraw/zinc/33/03/29/384330329.db2.gz JCWKVGUESLPLOG-GVXVVHGQSA-N 2 2 219.332 2.002 10 0 BEAELP C[C@@H]([NH3+])c1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000019872839 384549923 /nfs/dbraw/zinc/54/99/23/384549923.db2.gz JNCOYGZTURLLHU-MRVPVSSYSA-N 2 2 205.236 2.031 10 0 BEAELP CCC[C@H](C)C[NH2+]CCCn1cc[nH+]c1 ZINC000020506107 384618252 /nfs/dbraw/zinc/61/82/52/384618252.db2.gz YLMRXAARBKBCGV-LBPRGKRZSA-N 2 2 209.337 2.299 10 0 BEAELP CC(c1ccccc1)(n1cc[nH+]c1)n1cc[nH+]c1 ZINC000028764853 384646678 /nfs/dbraw/zinc/64/66/78/384646678.db2.gz OYPRTTXKMJPUTB-UHFFFAOYSA-N 2 2 238.294 2.349 10 0 BEAELP FCC[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000309583020 385716435 /nfs/dbraw/zinc/71/64/35/385716435.db2.gz RCOASHRCCUVRGK-QWHCGFSZSA-N 2 2 228.355 2.200 10 0 BEAELP C[C@@]1(C[NH+]2Cc3ccccc3C2)CC[NH2+]C1 ZINC000062912354 386532752 /nfs/dbraw/zinc/53/27/52/386532752.db2.gz IJVMJWNZACCMMK-CQSZACIVSA-N 2 2 216.328 2.002 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000061839590 386548051 /nfs/dbraw/zinc/54/80/51/386548051.db2.gz FYQBBVLSWUFMPO-LBPRGKRZSA-N 2 2 212.381 2.497 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000061839590 386548056 /nfs/dbraw/zinc/54/80/56/386548056.db2.gz FYQBBVLSWUFMPO-LBPRGKRZSA-N 2 2 212.381 2.497 10 0 BEAELP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336782299 386628145 /nfs/dbraw/zinc/62/81/45/386628145.db2.gz XEZSSLDFOGGOPB-OLZOCXBDSA-N 2 2 230.371 2.446 10 0 BEAELP Cc1ccc([C@H]([NH3+])C[NH3+])c2ccccc12 ZINC000044469684 386778229 /nfs/dbraw/zinc/77/82/29/386778229.db2.gz MCLHQSWECLRUSD-CYBMUJFWSA-N 2 2 200.285 2.107 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCc2sccc2C1 ZINC000020072141 387071330 /nfs/dbraw/zinc/07/13/30/387071330.db2.gz MJNGTBPRJTZTNU-GFCCVEGCSA-N 2 2 238.400 2.480 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@H+]1CCc2sccc2C1 ZINC000020072141 387071332 /nfs/dbraw/zinc/07/13/32/387071332.db2.gz MJNGTBPRJTZTNU-GFCCVEGCSA-N 2 2 238.400 2.480 10 0 BEAELP FCC[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000285707795 387280862 /nfs/dbraw/zinc/28/08/62/387280862.db2.gz PJMATPSIJIWKCB-VXGBXAGGSA-N 2 2 225.311 2.001 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324854552 387541740 /nfs/dbraw/zinc/54/17/40/387541740.db2.gz ZARWZQRIBIMINB-UONOGXRCSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324854552 387541745 /nfs/dbraw/zinc/54/17/45/387541745.db2.gz ZARWZQRIBIMINB-UONOGXRCSA-N 2 2 222.376 2.249 10 0 BEAELP C[C@H](c1ccccc1F)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621542 387858038 /nfs/dbraw/zinc/85/80/38/387858038.db2.gz GICFMGNUNCDREB-UPJWGTAASA-N 2 2 248.345 2.380 10 0 BEAELP C[C@H](c1ccccc1F)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621542 387858044 /nfs/dbraw/zinc/85/80/44/387858044.db2.gz GICFMGNUNCDREB-UPJWGTAASA-N 2 2 248.345 2.380 10 0 BEAELP C[C@H](c1ccccc1F)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193621542 387858047 /nfs/dbraw/zinc/85/80/47/387858047.db2.gz GICFMGNUNCDREB-UPJWGTAASA-N 2 2 248.345 2.380 10 0 BEAELP C[NH2+]C[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000168721375 387904806 /nfs/dbraw/zinc/90/48/06/387904806.db2.gz XMHKTBGTVQXGFY-GFCCVEGCSA-N 2 2 241.338 2.281 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)[C@@H]1C[C@H]1C ZINC000321034239 387933810 /nfs/dbraw/zinc/93/38/10/387933810.db2.gz DGOVODOQKIDSAM-SYQHCUMBSA-N 2 2 224.392 2.495 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)[C@@H]1C[C@H]1C ZINC000321034239 387933813 /nfs/dbraw/zinc/93/38/13/387933813.db2.gz DGOVODOQKIDSAM-SYQHCUMBSA-N 2 2 224.392 2.495 10 0 BEAELP Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c(C)[nH+]1 ZINC000335597201 388451721 /nfs/dbraw/zinc/45/17/21/388451721.db2.gz PDEZRVGDWLNRTR-CMPLNLGQSA-N 2 2 247.342 2.025 10 0 BEAELP Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c(C)[nH+]1 ZINC000335597202 388452174 /nfs/dbraw/zinc/45/21/74/388452174.db2.gz PDEZRVGDWLNRTR-JQWIXIFHSA-N 2 2 247.342 2.025 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000397801860 388500615 /nfs/dbraw/zinc/50/06/15/388500615.db2.gz MRTONOGBCPYHPC-SRVKXCTJSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000397801860 388500617 /nfs/dbraw/zinc/50/06/17/388500617.db2.gz MRTONOGBCPYHPC-SRVKXCTJSA-N 2 2 210.365 2.105 10 0 BEAELP C[C@H]([NH3+])[C@@H]([NH+]1CCC(C)CC1)C(C)(C)C ZINC000043291298 168187475 /nfs/dbraw/zinc/18/74/75/168187475.db2.gz GWKGYWYRBAHDGC-NWDGAFQWSA-N 2 2 212.381 2.480 10 0 BEAELP Cc1ccc2c(c1)CCC[N@H+]2CCCC[NH3+] ZINC000019485942 132325509 /nfs/dbraw/zinc/32/55/09/132325509.db2.gz ZQIZTOXWJQXLJS-UHFFFAOYSA-N 2 2 218.344 2.487 10 0 BEAELP Cc1ccc2c(c1)CCC[N@@H+]2CCCC[NH3+] ZINC000019485942 132325510 /nfs/dbraw/zinc/32/55/10/132325510.db2.gz ZQIZTOXWJQXLJS-UHFFFAOYSA-N 2 2 218.344 2.487 10 0 BEAELP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000251683243 135073270 /nfs/dbraw/zinc/07/32/70/135073270.db2.gz PKZKULUKLBDYCT-UPJWGTAASA-N 2 2 222.376 2.391 10 0 BEAELP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000251683243 135073273 /nfs/dbraw/zinc/07/32/73/135073273.db2.gz PKZKULUKLBDYCT-UPJWGTAASA-N 2 2 222.376 2.391 10 0 BEAELP CC[C@@H]1CC[C@@H]([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000251711528 135074322 /nfs/dbraw/zinc/07/43/22/135074322.db2.gz RIMSHCFHCJAUAK-JHJVBQTASA-N 2 2 221.348 2.440 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252727484 135102114 /nfs/dbraw/zinc/10/21/14/135102114.db2.gz GLDSCMYJYQBWQM-OPDFLTKYSA-N 2 2 222.376 2.390 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252727484 135102115 /nfs/dbraw/zinc/10/21/15/135102115.db2.gz GLDSCMYJYQBWQM-OPDFLTKYSA-N 2 2 222.376 2.390 10 0 BEAELP CCCC[C@@H](C[NH3+])Nc1cccc(C)[nH+]1 ZINC000087780209 135168513 /nfs/dbraw/zinc/16/85/13/135168513.db2.gz NVUQBSYTUKEHBC-NSHDSACASA-N 2 2 207.321 2.319 10 0 BEAELP COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261549367 135188704 /nfs/dbraw/zinc/18/87/04/135188704.db2.gz HVVBEFPZPBVKJE-JSGCOSHPSA-N 2 2 248.370 2.254 10 0 BEAELP COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261549367 135188705 /nfs/dbraw/zinc/18/87/05/135188705.db2.gz HVVBEFPZPBVKJE-JSGCOSHPSA-N 2 2 248.370 2.254 10 0 BEAELP CC(C)C[C@@H](C[NH3+])Nc1[nH+]c2ccccc2n1C ZINC000079048585 135268106 /nfs/dbraw/zinc/26/81/06/135268106.db2.gz DFKBSKNPWMJVQX-NSHDSACASA-N 2 2 246.358 2.359 10 0 BEAELP C[C@@H](C[NH3+])CNc1ccc2ccccc2[nH+]1 ZINC000083387625 487588331 /nfs/dbraw/zinc/58/83/31/487588331.db2.gz PHNJJMWSBFFMRU-JTQLQIEISA-N 2 2 215.300 2.242 10 0 BEAELP COc1ccc2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000058012250 487600768 /nfs/dbraw/zinc/60/07/68/487600768.db2.gz BGKIZORCACFHIB-GFCCVEGCSA-N 2 2 246.354 2.010 10 0 BEAELP COc1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000058012250 487600770 /nfs/dbraw/zinc/60/07/70/487600770.db2.gz BGKIZORCACFHIB-GFCCVEGCSA-N 2 2 246.354 2.010 10 0 BEAELP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000394512561 410804983 /nfs/dbraw/zinc/80/49/83/410804983.db2.gz OXTMPAMNCWSEQY-NWDGAFQWSA-N 2 2 246.345 2.496 10 0 BEAELP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000394512561 410804992 /nfs/dbraw/zinc/80/49/92/410804992.db2.gz OXTMPAMNCWSEQY-NWDGAFQWSA-N 2 2 246.345 2.496 10 0 BEAELP CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000651198455 410857091 /nfs/dbraw/zinc/85/70/91/410857091.db2.gz NTTCTQKLZMVWGM-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000651198455 410857096 /nfs/dbraw/zinc/85/70/96/410857096.db2.gz NTTCTQKLZMVWGM-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)C[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037106648 167011514 /nfs/dbraw/zinc/01/15/14/167011514.db2.gz UWKYPMBVWIMYBR-NEPJUHHUSA-N 2 2 207.321 2.222 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000309671628 167029027 /nfs/dbraw/zinc/02/90/27/167029027.db2.gz KAHLJCRYRDGSKN-AGIUHOORSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000309671628 167029029 /nfs/dbraw/zinc/02/90/29/167029029.db2.gz KAHLJCRYRDGSKN-AGIUHOORSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000336691025 167029836 /nfs/dbraw/zinc/02/98/36/167029836.db2.gz WPIMPDDQSUFNKL-LPWJVIDDSA-N 2 2 242.432 2.056 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000336691025 167029839 /nfs/dbraw/zinc/02/98/39/167029839.db2.gz WPIMPDDQSUFNKL-LPWJVIDDSA-N 2 2 242.432 2.056 10 0 BEAELP CC(C)[NH2+]CC[N@H+](C)CCc1cccs1 ZINC000082602419 167101481 /nfs/dbraw/zinc/10/14/81/167101481.db2.gz XDDNTLJPHHCBPA-UHFFFAOYSA-N 2 2 226.389 2.220 10 0 BEAELP CC(C)[NH2+]CC[N@@H+](C)CCc1cccs1 ZINC000082602419 167101485 /nfs/dbraw/zinc/10/14/85/167101485.db2.gz XDDNTLJPHHCBPA-UHFFFAOYSA-N 2 2 226.389 2.220 10 0 BEAELP CC(C)[NH2+]CC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000181269319 167104885 /nfs/dbraw/zinc/10/48/85/167104885.db2.gz DYTUQMNSXMIMLU-UHFFFAOYSA-N 2 2 249.402 2.182 10 0 BEAELP CC(C)[NH2+]CC[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000181269319 167104890 /nfs/dbraw/zinc/10/48/90/167104890.db2.gz DYTUQMNSXMIMLU-UHFFFAOYSA-N 2 2 249.402 2.182 10 0 BEAELP CC(C)[NH2+]CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598806 167106297 /nfs/dbraw/zinc/10/62/97/167106297.db2.gz ZSSQTYXVCXLXFJ-HNNXBMFYSA-N 2 2 232.371 2.474 10 0 BEAELP CC(C)[NH2+]CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598806 167106298 /nfs/dbraw/zinc/10/62/98/167106298.db2.gz ZSSQTYXVCXLXFJ-HNNXBMFYSA-N 2 2 232.371 2.474 10 0 BEAELP CC(C)[NH2+]CC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000375669759 167107132 /nfs/dbraw/zinc/10/71/32/167107132.db2.gz VGQMLHVQSQGRLP-LBPRGKRZSA-N 2 2 222.332 2.067 10 0 BEAELP CC(C)[NH2+]CC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000375669759 167107134 /nfs/dbraw/zinc/10/71/34/167107134.db2.gz VGQMLHVQSQGRLP-LBPRGKRZSA-N 2 2 222.332 2.067 10 0 BEAELP CC(C)[NH2+]CC[C@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543650 167109188 /nfs/dbraw/zinc/10/91/88/167109188.db2.gz IWSZAHPDIYFPGK-STQMWFEESA-N 2 2 242.407 2.262 10 0 BEAELP CC(C)[NH2+]CC[C@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543650 167109191 /nfs/dbraw/zinc/10/91/91/167109191.db2.gz IWSZAHPDIYFPGK-STQMWFEESA-N 2 2 242.407 2.262 10 0 BEAELP c1ccc(N2CCC[C@H](C3CC[NH2+]CC3)C2)[nH+]c1 ZINC000656609920 411308465 /nfs/dbraw/zinc/30/84/65/411308465.db2.gz ZVWUKUQYSHXQOD-AWEZNQCLSA-N 2 2 245.370 2.298 10 0 BEAELP CC1CC[NH+]([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000022175278 168187088 /nfs/dbraw/zinc/18/70/88/168187088.db2.gz PUBJOMJWVIUMEB-LBPRGKRZSA-N 2 2 224.373 2.480 10 0 BEAELP CC[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CC[C@@H]1[NH3+] ZINC000122941601 411436420 /nfs/dbraw/zinc/43/64/20/411436420.db2.gz AFWNZTDBFYHYPX-QWRGUYRKSA-N 2 2 244.342 2.127 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000328464200 170011723 /nfs/dbraw/zinc/01/17/23/170011723.db2.gz IOZYHDUGJQHWSX-CHWSQXEVSA-N 2 2 208.349 2.027 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000328464200 170011725 /nfs/dbraw/zinc/01/17/25/170011725.db2.gz IOZYHDUGJQHWSX-CHWSQXEVSA-N 2 2 208.349 2.027 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000328223562 170013106 /nfs/dbraw/zinc/01/31/06/170013106.db2.gz ZIEFWLFNRSMQJH-JXQTWKCFSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000328223562 170013107 /nfs/dbraw/zinc/01/31/07/170013107.db2.gz ZIEFWLFNRSMQJH-JXQTWKCFSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C1CCCC1 ZINC000120112952 170024020 /nfs/dbraw/zinc/02/40/20/170024020.db2.gz HRDVHBXIDVROBW-KGLIPLIRSA-N 2 2 222.376 2.488 10 0 BEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C1CCCC1 ZINC000120112952 170024022 /nfs/dbraw/zinc/02/40/22/170024022.db2.gz HRDVHBXIDVROBW-KGLIPLIRSA-N 2 2 222.376 2.488 10 0 BEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC000120112952 170024023 /nfs/dbraw/zinc/02/40/23/170024023.db2.gz HRDVHBXIDVROBW-KGLIPLIRSA-N 2 2 222.376 2.488 10 0 BEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC000120112952 170024025 /nfs/dbraw/zinc/02/40/25/170024025.db2.gz HRDVHBXIDVROBW-KGLIPLIRSA-N 2 2 222.376 2.488 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000336779090 170031622 /nfs/dbraw/zinc/03/16/22/170031622.db2.gz NDVODXDNOMWVNU-ZWNOBZJWSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000336779090 170031623 /nfs/dbraw/zinc/03/16/23/170031623.db2.gz NDVODXDNOMWVNU-ZWNOBZJWSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(C)s2)[C@@H](C)C1 ZINC000336779087 170036580 /nfs/dbraw/zinc/03/65/80/170036580.db2.gz NDVODXDNOMWVNU-GWCFXTLKSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(C)s2)[C@@H](C)C1 ZINC000336779087 170036582 /nfs/dbraw/zinc/03/65/82/170036582.db2.gz NDVODXDNOMWVNU-GWCFXTLKSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]Cc2cccs2)[C@@H](C)C1 ZINC000336753922 170036615 /nfs/dbraw/zinc/03/66/15/170036615.db2.gz HCUNMUGDDUWZOL-JQWIXIFHSA-N 2 2 224.373 2.178 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]Cc2cccs2)[C@@H](C)C1 ZINC000336753922 170036617 /nfs/dbraw/zinc/03/66/17/170036617.db2.gz HCUNMUGDDUWZOL-JQWIXIFHSA-N 2 2 224.373 2.178 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000336778428 170036682 /nfs/dbraw/zinc/03/66/82/170036682.db2.gz LIMOKJHHXAGNLE-XQQFMLRXSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000336778428 170036683 /nfs/dbraw/zinc/03/66/83/170036683.db2.gz LIMOKJHHXAGNLE-XQQFMLRXSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000336678609 170039374 /nfs/dbraw/zinc/03/93/74/170039374.db2.gz BXJAILTWRAYRNZ-IGQOVBAYSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000336678609 170039375 /nfs/dbraw/zinc/03/93/75/170039375.db2.gz BXJAILTWRAYRNZ-IGQOVBAYSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000309907562 170039805 /nfs/dbraw/zinc/03/98/05/170039805.db2.gz KZLCTQWWBXWHDO-YNEHKIRRSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000309907562 170039807 /nfs/dbraw/zinc/03/98/07/170039807.db2.gz KZLCTQWWBXWHDO-YNEHKIRRSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000336678611 170039984 /nfs/dbraw/zinc/03/99/84/170039984.db2.gz BXJAILTWRAYRNZ-XJFOESAGSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000336678611 170039985 /nfs/dbraw/zinc/03/99/85/170039985.db2.gz BXJAILTWRAYRNZ-XJFOESAGSA-N 2 2 224.392 2.495 10 0 BEAELP CC[NH2+]C(C)(C)C[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC000061299968 170107629 /nfs/dbraw/zinc/10/76/29/170107629.db2.gz MEVHRVPSLAHUKW-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP CC[NH2+]C(C)(C)C[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC000061299968 170107631 /nfs/dbraw/zinc/10/76/31/170107631.db2.gz MEVHRVPSLAHUKW-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP CC[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000037240656 170108753 /nfs/dbraw/zinc/10/87/53/170108753.db2.gz FUWJFOMAKFGAOD-UHFFFAOYSA-N 2 2 248.370 2.269 10 0 BEAELP CC[NH2+]C1CC[NH+](CCOc2ccccc2)CC1 ZINC000042896723 170108767 /nfs/dbraw/zinc/10/87/67/170108767.db2.gz QFDQLJXIRFVUPV-UHFFFAOYSA-N 2 2 248.370 2.139 10 0 BEAELP CC[NH2+]CCc1[nH+]c2cc(C)ccc2n1C ZINC000051784292 170118154 /nfs/dbraw/zinc/11/81/54/170118154.db2.gz OPJRBCQTBZLAHK-UHFFFAOYSA-N 2 2 217.316 2.034 10 0 BEAELP CC[NH2+]C[C@@H](C)C[NH+]1Cc2ccccc2C1 ZINC000052374282 170118967 /nfs/dbraw/zinc/11/89/67/170118967.db2.gz BWVKMBDPSSETLN-GFCCVEGCSA-N 2 2 218.344 2.248 10 0 BEAELP CC[NH2+]C[C@H](C)C[N@@H+]1CCOc2ccccc2C1 ZINC000063013437 170121857 /nfs/dbraw/zinc/12/18/57/170121857.db2.gz WKXRUIOJIGVFLP-ZDUSSCGKSA-N 2 2 248.370 2.127 10 0 BEAELP CC[NH2+]C[C@H](C)C[N@H+]1CCOc2ccccc2C1 ZINC000063013437 170121858 /nfs/dbraw/zinc/12/18/58/170121858.db2.gz WKXRUIOJIGVFLP-ZDUSSCGKSA-N 2 2 248.370 2.127 10 0 BEAELP CC[NH2+]C[C@](C)(CC)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000051209972 170123534 /nfs/dbraw/zinc/12/35/34/170123534.db2.gz FTPQLRJJCONKIN-MCIONIFRSA-N 2 2 242.407 2.121 10 0 BEAELP CC[NH2+]Cc1nc(-n2cc[nH+]c2)ccc1Cl ZINC000051489927 170131476 /nfs/dbraw/zinc/13/14/76/170131476.db2.gz BUJNUSPKVRECMJ-UHFFFAOYSA-N 2 2 236.706 2.030 10 0 BEAELP CC[NH2+][C@@H]1CCC[C@@H]1[NH+]1CCC(C)CC1 ZINC000043806633 170150894 /nfs/dbraw/zinc/15/08/94/170150894.db2.gz DVXOIIILVFUBOK-OLZOCXBDSA-N 2 2 210.365 2.249 10 0 BEAELP CCNc1c(C[NH3+])c[nH+]c2ccccc21 ZINC000050423083 170171199 /nfs/dbraw/zinc/17/11/99/170171199.db2.gz YEPCHFACWCPXSV-UHFFFAOYSA-N 2 2 201.273 2.125 10 0 BEAELP CC(C)CC1([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000662067555 411969807 /nfs/dbraw/zinc/96/98/07/411969807.db2.gz ZBXNWHIRQFCKFG-LBPRGKRZSA-N 2 2 210.365 2.249 10 0 BEAELP CC(C)CC1([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000662067555 411969813 /nfs/dbraw/zinc/96/98/13/411969813.db2.gz ZBXNWHIRQFCKFG-LBPRGKRZSA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000336732102 171061173 /nfs/dbraw/zinc/06/11/73/171061173.db2.gz LCSJJMLSWAFDKQ-FRRDWIJNSA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000336732102 171061175 /nfs/dbraw/zinc/06/11/75/171061175.db2.gz LCSJJMLSWAFDKQ-FRRDWIJNSA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H](C)CC[NH2+]C(C)C ZINC000052571275 171114523 /nfs/dbraw/zinc/11/45/23/171114523.db2.gz YYTOYAJGUHSYRE-BFHYXJOUSA-N 2 2 242.407 2.262 10 0 BEAELP CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H](C)CC[NH2+]C(C)C ZINC000052571275 171114525 /nfs/dbraw/zinc/11/45/25/171114525.db2.gz YYTOYAJGUHSYRE-BFHYXJOUSA-N 2 2 242.407 2.262 10 0 BEAELP CC[C@H](C)[C@@H]([NH3+])C[N@@H+]1CCc2sccc2C1 ZINC000020072163 171372727 /nfs/dbraw/zinc/37/27/27/171372727.db2.gz JXOZQKLXFSTKNZ-JQWIXIFHSA-N 2 2 238.400 2.480 10 0 BEAELP CC[C@H](C)[C@@H]([NH3+])C[N@H+]1CCc2sccc2C1 ZINC000020072163 171372728 /nfs/dbraw/zinc/37/27/28/171372728.db2.gz JXOZQKLXFSTKNZ-JQWIXIFHSA-N 2 2 238.400 2.480 10 0 BEAELP CCc1[nH+]c2ccccc2n1C[C@@H]1CC[NH2+]C1 ZINC000062807710 172013315 /nfs/dbraw/zinc/01/33/15/172013315.db2.gz YFSZVNKUQGDBMN-LLVKDONJSA-N 2 2 229.327 2.208 10 0 BEAELP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309928623 172394572 /nfs/dbraw/zinc/39/45/72/172394572.db2.gz WUSMWLNVMGGBIO-NWDGAFQWSA-N 2 2 230.371 2.445 10 0 BEAELP C[N@@H+]1CCCC[C@H]1Cn1c[nH+]c2cc(N)ccc21 ZINC000052854192 173010250 /nfs/dbraw/zinc/01/02/50/173010250.db2.gz DDODHSRJCRPOIO-LBPRGKRZSA-N 2 2 244.342 2.103 10 0 BEAELP C[N@H+]1CCCC[C@H]1Cn1c[nH+]c2cc(N)ccc21 ZINC000052854192 173010252 /nfs/dbraw/zinc/01/02/52/173010252.db2.gz DDODHSRJCRPOIO-LBPRGKRZSA-N 2 2 244.342 2.103 10 0 BEAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336722353 173034204 /nfs/dbraw/zinc/03/42/04/173034204.db2.gz ALQNFPTUEQUAKQ-JHJVBQTASA-N 2 2 228.355 2.199 10 0 BEAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336722353 173034207 /nfs/dbraw/zinc/03/42/07/173034207.db2.gz ALQNFPTUEQUAKQ-JHJVBQTASA-N 2 2 228.355 2.199 10 0 BEAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336722945 173034257 /nfs/dbraw/zinc/03/42/57/173034257.db2.gz ALQNFPTUEQUAKQ-UPJWGTAASA-N 2 2 228.355 2.199 10 0 BEAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336722945 173034260 /nfs/dbraw/zinc/03/42/60/173034260.db2.gz ALQNFPTUEQUAKQ-UPJWGTAASA-N 2 2 228.355 2.199 10 0 BEAELP C[N@@H+]1CCC[C@]([NH3+])(c2ccc(Cl)cc2)C1 ZINC000140048408 173061733 /nfs/dbraw/zinc/06/17/33/173061733.db2.gz LUXUBCASEKFBTQ-GFCCVEGCSA-N 2 2 224.735 2.220 10 0 BEAELP C[N@H+]1CCC[C@]([NH3+])(c2ccc(Cl)cc2)C1 ZINC000140048408 173061735 /nfs/dbraw/zinc/06/17/35/173061735.db2.gz LUXUBCASEKFBTQ-GFCCVEGCSA-N 2 2 224.735 2.220 10 0 BEAELP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000061984733 173152403 /nfs/dbraw/zinc/15/24/03/173152403.db2.gz DLWUGAMBKHUCRK-ZDUSSCGKSA-N 2 2 243.354 2.004 10 0 BEAELP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000061984733 173152404 /nfs/dbraw/zinc/15/24/04/173152404.db2.gz DLWUGAMBKHUCRK-ZDUSSCGKSA-N 2 2 243.354 2.004 10 0 BEAELP C[NH2+]CC[N@H+](C)CCc1cc(C)c(C)cc1C ZINC000077370030 173352899 /nfs/dbraw/zinc/35/28/99/173352899.db2.gz INNQXLYICMYGMK-UHFFFAOYSA-N 2 2 234.387 2.306 10 0 BEAELP C[NH2+]CC[N@@H+](C)CCc1cc(C)c(C)cc1C ZINC000077370030 173352901 /nfs/dbraw/zinc/35/29/01/173352901.db2.gz INNQXLYICMYGMK-UHFFFAOYSA-N 2 2 234.387 2.306 10 0 BEAELP C[NH2+]CC[N@H+](C)CCc1ccc2c(c1)CCCC2 ZINC000077404084 173353215 /nfs/dbraw/zinc/35/32/15/173353215.db2.gz RVIIFAQKNKSLPO-UHFFFAOYSA-N 2 2 246.398 2.259 10 0 BEAELP C[NH2+]CC[N@@H+](C)CCc1ccc2c(c1)CCCC2 ZINC000077404084 173353216 /nfs/dbraw/zinc/35/32/16/173353216.db2.gz RVIIFAQKNKSLPO-UHFFFAOYSA-N 2 2 246.398 2.259 10 0 BEAELP C[NH2+]CC[N@H+](Cc1ccccc1)C(C)C ZINC000020072421 173354734 /nfs/dbraw/zinc/35/47/34/173354734.db2.gz HMVHRERHEABRAO-UHFFFAOYSA-N 2 2 206.333 2.116 10 0 BEAELP C[NH2+]CC[N@@H+](Cc1ccccc1)C(C)C ZINC000020072421 173354736 /nfs/dbraw/zinc/35/47/36/173354736.db2.gz HMVHRERHEABRAO-UHFFFAOYSA-N 2 2 206.333 2.116 10 0 BEAELP C[NH2+]C[C@@H](C(C)C)[NH+]1Cc2ccccc2C1 ZINC000052374186 173362827 /nfs/dbraw/zinc/36/28/27/173362827.db2.gz APMBVOORFVDKSH-AWEZNQCLSA-N 2 2 218.344 2.246 10 0 BEAELP C[NH2+]C[C@H](C)n1cc[nH+]c1-c1ccccc1 ZINC000053539886 173376062 /nfs/dbraw/zinc/37/60/62/173376062.db2.gz SZRVGXGCBKIVAT-NSHDSACASA-N 2 2 215.300 2.331 10 0 BEAELP C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1 ZINC000042407845 173377804 /nfs/dbraw/zinc/37/78/04/173377804.db2.gz FXYFNXJEJZHLQR-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP C[NH2+]C[C@H]1CCCC[N@H+]1Cc1cccc(OC)c1 ZINC000042407845 173377806 /nfs/dbraw/zinc/37/78/06/173377806.db2.gz FXYFNXJEJZHLQR-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP C[NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000039978699 173378326 /nfs/dbraw/zinc/37/83/26/173378326.db2.gz DASBTNVHEOVJTR-CQSZACIVSA-N 2 2 234.343 2.052 10 0 BEAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N1CCCC1 ZINC000051399132 173384092 /nfs/dbraw/zinc/38/40/92/173384092.db2.gz QHXOLWFQSYZRSA-UHFFFAOYSA-N 2 2 219.332 2.018 10 0 BEAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N1CC[C@H](C)C1 ZINC000051448422 173384409 /nfs/dbraw/zinc/38/44/09/173384409.db2.gz NZDQJSPRKBWKMJ-JTQLQIEISA-N 2 2 233.359 2.264 10 0 BEAELP COC1CC[NH+]([C@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000037265849 174030047 /nfs/dbraw/zinc/03/00/47/174030047.db2.gz SGSZFRWGDDXRJB-OAHLLOKOSA-N 2 2 248.370 2.106 10 0 BEAELP COCC[N@H+]([C@H](C)C[NH2+]CCC(C)C)C1CC1 ZINC000053496531 174285404 /nfs/dbraw/zinc/28/54/04/174285404.db2.gz HJDJGCKPAMGSIF-CYBMUJFWSA-N 2 2 242.407 2.121 10 0 BEAELP COCC[N@@H+]([C@H](C)C[NH2+]CCC(C)C)C1CC1 ZINC000053496531 174285405 /nfs/dbraw/zinc/28/54/05/174285405.db2.gz HJDJGCKPAMGSIF-CYBMUJFWSA-N 2 2 242.407 2.121 10 0 BEAELP COc1ccc(C)cc1[C@@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000038086948 175078908 /nfs/dbraw/zinc/07/89/08/175078908.db2.gz SWVVTMXXPLWVEE-CYBMUJFWSA-N 2 2 248.370 2.360 10 0 BEAELP COc1ccc(C)cc1[C@@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000038086948 175078910 /nfs/dbraw/zinc/07/89/10/175078910.db2.gz SWVVTMXXPLWVEE-CYBMUJFWSA-N 2 2 248.370 2.360 10 0 BEAELP COc1cccc(C[N@H+](CC[NH3+])C(C)(C)C)c1 ZINC000076619655 175256807 /nfs/dbraw/zinc/25/68/07/175256807.db2.gz UGKSEYYFVLTTAE-UHFFFAOYSA-N 2 2 236.359 2.254 10 0 BEAELP COc1cccc(C[N@@H+](CC[NH3+])C(C)(C)C)c1 ZINC000076619655 175256809 /nfs/dbraw/zinc/25/68/09/175256809.db2.gz UGKSEYYFVLTTAE-UHFFFAOYSA-N 2 2 236.359 2.254 10 0 BEAELP COc1cccc([C@@H]([C@H](C)[NH3+])[N@H+](C)CC2CC2)c1 ZINC000043027321 175290142 /nfs/dbraw/zinc/29/01/42/175290142.db2.gz UGBKHBWSXSVVPJ-XHDPSFHLSA-N 2 2 248.370 2.425 10 0 BEAELP COc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000043027321 175290144 /nfs/dbraw/zinc/29/01/44/175290144.db2.gz UGBKHBWSXSVVPJ-XHDPSFHLSA-N 2 2 248.370 2.425 10 0 BEAELP COc1cccc([C@H](C)[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041027843 175292772 /nfs/dbraw/zinc/29/27/72/175292772.db2.gz VNEZORRJPBYODI-AAEUAGOBSA-N 2 2 234.343 2.179 10 0 BEAELP COc1cccc([C@H](C)[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041027843 175292773 /nfs/dbraw/zinc/29/27/73/175292773.db2.gz VNEZORRJPBYODI-AAEUAGOBSA-N 2 2 234.343 2.179 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000036783325 175293991 /nfs/dbraw/zinc/29/39/91/175293991.db2.gz QBLXGLNOIHHUEP-NHYWBVRUSA-N 2 2 248.370 2.425 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000036783325 175293992 /nfs/dbraw/zinc/29/39/92/175293992.db2.gz QBLXGLNOIHHUEP-NHYWBVRUSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccccc1C[N@H+](CC[NH3+])C(C)(C)C ZINC000076619651 175326004 /nfs/dbraw/zinc/32/60/04/175326004.db2.gz CSQVFRHADWKJIH-UHFFFAOYSA-N 2 2 236.359 2.254 10 0 BEAELP COc1ccccc1C[N@@H+](CC[NH3+])C(C)(C)C ZINC000076619651 175326005 /nfs/dbraw/zinc/32/60/05/175326005.db2.gz CSQVFRHADWKJIH-UHFFFAOYSA-N 2 2 236.359 2.254 10 0 BEAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000043096602 175349184 /nfs/dbraw/zinc/34/91/84/175349184.db2.gz NDMSVXBADPAGEN-BXUZGUMPSA-N 2 2 234.343 2.179 10 0 BEAELP C[C@H](c1[nH]c(CC[NH3+])c[nH+]1)c1ccccc1 ZINC000005115883 176024332 /nfs/dbraw/zinc/02/43/32/176024332.db2.gz OSUZWMQGCNXLQN-JTQLQIEISA-N 2 2 215.300 2.063 10 0 BEAELP C[C@H](c1[nH]cc(CC[NH3+])[nH+]1)c1ccccc1 ZINC000005115883 176024334 /nfs/dbraw/zinc/02/43/34/176024334.db2.gz OSUZWMQGCNXLQN-JTQLQIEISA-N 2 2 215.300 2.063 10 0 BEAELP C[C@@H]1CCCC[C@@H]1[NH2+]CCc1[nH+]ccn1C ZINC000040638576 176080714 /nfs/dbraw/zinc/08/07/14/176080714.db2.gz NOYVIULOYKGVDQ-NEPJUHHUSA-N 2 2 221.348 2.131 10 0 BEAELP C[C@@H]1CC[N@H+](CCc2ccccc2F)CC[NH2+]1 ZINC000049661273 176171328 /nfs/dbraw/zinc/17/13/28/176171328.db2.gz WNMRGIKIVHZQJX-GFCCVEGCSA-N 2 2 236.334 2.052 10 0 BEAELP C[C@@H]1CC[N@@H+](CCc2ccccc2F)CC[NH2+]1 ZINC000049661273 176171329 /nfs/dbraw/zinc/17/13/29/176171329.db2.gz WNMRGIKIVHZQJX-GFCCVEGCSA-N 2 2 236.334 2.052 10 0 BEAELP C[C@@H]1CC[N@H+](Cc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000235338216 176175264 /nfs/dbraw/zinc/17/52/64/176175264.db2.gz MTWYKUKJOALOHN-DGCLKSJQSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@@H]1CC[N@@H+](Cc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000235338216 176175265 /nfs/dbraw/zinc/17/52/65/176175265.db2.gz MTWYKUKJOALOHN-DGCLKSJQSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)Cc2ccccn2)C1 ZINC000036777408 176228855 /nfs/dbraw/zinc/22/88/55/176228855.db2.gz AHZPUMWMZYAHIR-KWCYVHTRSA-N 2 2 233.359 2.029 10 0 BEAELP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)Cc2ccccn2)C1 ZINC000036777408 176228858 /nfs/dbraw/zinc/22/88/58/176228858.db2.gz AHZPUMWMZYAHIR-KWCYVHTRSA-N 2 2 233.359 2.029 10 0 BEAELP C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000104428398 176391515 /nfs/dbraw/zinc/39/15/15/176391515.db2.gz XLUXKQHBEPTBAB-GYSYKLTISA-N 2 2 236.334 2.413 10 0 BEAELP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000104428398 176391516 /nfs/dbraw/zinc/39/15/16/176391516.db2.gz XLUXKQHBEPTBAB-GYSYKLTISA-N 2 2 236.334 2.413 10 0 BEAELP C[C@H](c1cccs1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000095068289 177048448 /nfs/dbraw/zinc/04/84/48/177048448.db2.gz BWCOTXLGXJMJTJ-NXEZZACHSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H](c1cccs1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC000095068289 177048449 /nfs/dbraw/zinc/04/84/49/177048449.db2.gz BWCOTXLGXJMJTJ-NXEZZACHSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H](c1ccsc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022110428 177051821 /nfs/dbraw/zinc/05/18/21/177051821.db2.gz DXAWFDYTCDIDFS-SNVBAGLBSA-N 2 2 210.346 2.104 10 0 BEAELP C[C@H](c1ccsc1)[N@H+]1CCC[NH2+]CC1 ZINC000022110428 177051822 /nfs/dbraw/zinc/05/18/22/177051822.db2.gz DXAWFDYTCDIDFS-SNVBAGLBSA-N 2 2 210.346 2.104 10 0 BEAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)Cc1ccccn1 ZINC000036777248 177085009 /nfs/dbraw/zinc/08/50/09/177085009.db2.gz LCWDEMFVTRXTJG-ZFWWWQNUSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)Cc1ccccn1 ZINC000036777248 177085011 /nfs/dbraw/zinc/08/50/11/177085011.db2.gz LCWDEMFVTRXTJG-ZFWWWQNUSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccsc1 ZINC000037910452 177111595 /nfs/dbraw/zinc/11/15/95/177111595.db2.gz SDMAHBJAIMFVAY-ONGXEEELSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccsc1 ZINC000037910452 177111597 /nfs/dbraw/zinc/11/15/97/177111597.db2.gz SDMAHBJAIMFVAY-ONGXEEELSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccccc1 ZINC000037910328 177112337 /nfs/dbraw/zinc/11/23/37/177112337.db2.gz KTGLRXNWBQJSFU-AAEUAGOBSA-N 2 2 204.317 2.171 10 0 BEAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccccc1 ZINC000037910328 177112338 /nfs/dbraw/zinc/11/23/38/177112338.db2.gz KTGLRXNWBQJSFU-AAEUAGOBSA-N 2 2 204.317 2.171 10 0 BEAELP C[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044683799 177137264 /nfs/dbraw/zinc/13/72/64/177137264.db2.gz MCEHPZFJUMNZMR-RWMBFGLXSA-N 2 2 222.376 2.391 10 0 BEAELP C[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000044683799 177137265 /nfs/dbraw/zinc/13/72/65/177137265.db2.gz MCEHPZFJUMNZMR-RWMBFGLXSA-N 2 2 222.376 2.391 10 0 BEAELP C[C@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2ccccn2)C1 ZINC000036777281 177143563 /nfs/dbraw/zinc/14/35/63/177143563.db2.gz DGHICEPDLNFVCI-ZFWWWQNUSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2ccccn2)C1 ZINC000036777281 177143565 /nfs/dbraw/zinc/14/35/65/177143565.db2.gz DGHICEPDLNFVCI-ZFWWWQNUSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CC[N@@H+](C2(C[NH3+])CCCCCC2)C1 ZINC000040717217 177156779 /nfs/dbraw/zinc/15/67/79/177156779.db2.gz KZNVVWGPOKIXAX-LBPRGKRZSA-N 2 2 210.365 2.380 10 0 BEAELP C[C@H]1CC[N@H+](C2(C[NH3+])CCCCCC2)C1 ZINC000040717217 177156781 /nfs/dbraw/zinc/15/67/81/177156781.db2.gz KZNVVWGPOKIXAX-LBPRGKRZSA-N 2 2 210.365 2.380 10 0 BEAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000040717421 177170548 /nfs/dbraw/zinc/17/05/48/177170548.db2.gz CVBVRSHSADCDNJ-GWCFXTLKSA-N 2 2 222.307 2.167 10 0 BEAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000040717421 177170550 /nfs/dbraw/zinc/17/05/50/177170550.db2.gz CVBVRSHSADCDNJ-GWCFXTLKSA-N 2 2 222.307 2.167 10 0 BEAELP C[C@@H]1C[N@H+]([C@@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000022210909 177273553 /nfs/dbraw/zinc/27/35/53/177273553.db2.gz PAULONNZVSORPZ-SCRDCRAPSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000022210909 177273554 /nfs/dbraw/zinc/27/35/54/177273554.db2.gz PAULONNZVSORPZ-SCRDCRAPSA-N 2 2 240.391 2.003 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000568273315 322932886 /nfs/dbraw/zinc/93/28/86/322932886.db2.gz QSHGXNQSTBNIQQ-PWSUYJOCSA-N 2 2 207.321 2.007 10 0 BEAELP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000380607918 487481029 /nfs/dbraw/zinc/48/10/29/487481029.db2.gz JFMXPWBBAOLNJY-DOMZBBRYSA-N 2 2 248.370 2.397 10 0 BEAELP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000380607918 487481031 /nfs/dbraw/zinc/48/10/31/487481031.db2.gz JFMXPWBBAOLNJY-DOMZBBRYSA-N 2 2 248.370 2.397 10 0 BEAELP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCCCC1(F)F ZINC000322372959 488183236 /nfs/dbraw/zinc/18/32/36/488183236.db2.gz BADGURUPSTXRLK-ZJUUUORDSA-N 2 2 220.307 2.091 10 0 BEAELP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000322372959 488183238 /nfs/dbraw/zinc/18/32/38/488183238.db2.gz BADGURUPSTXRLK-ZJUUUORDSA-N 2 2 220.307 2.091 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000250320532 535540499 /nfs/dbraw/zinc/54/04/99/535540499.db2.gz NBMFTUNBKDOAIX-CHWSQXEVSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000250320532 535540504 /nfs/dbraw/zinc/54/05/04/535540504.db2.gz NBMFTUNBKDOAIX-CHWSQXEVSA-N 2 2 212.381 2.495 10 0 BEAELP CC(=O)c1ccc([C@@H]2CC[C@H]([NH3+])[C@@H](C)[NH2+]2)cc1 ZINC000757213326 586439430 /nfs/dbraw/zinc/43/94/30/586439430.db2.gz JKLQUKCCCKSKJQ-IIMNLJJBSA-N 2 2 232.327 2.030 10 0 BEAELP C[C@@H]1CC[NH2+][C@@H](c2cccc3cc[nH]c32)[C@@H]1[NH3+] ZINC000757219377 586442445 /nfs/dbraw/zinc/44/24/45/586442445.db2.gz WYNNQICSHAZCHA-IUPBHXKESA-N 2 2 229.327 2.166 10 0 BEAELP [NH3+][C@@H]1CCC[NH2+][C@H]1c1cscc1C(F)F ZINC000757230002 586443018 /nfs/dbraw/zinc/44/30/18/586443018.db2.gz FTFHRDYORXMPER-BDAKNGLRSA-N 2 2 232.299 2.438 10 0 BEAELP [NH3+][C@H]1CC[C@@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757238588 586444360 /nfs/dbraw/zinc/44/43/60/586444360.db2.gz STKGWHXSWJJGSY-RCOVLWMOSA-N 2 2 232.299 2.438 10 0 BEAELP C[NH+](C)C1CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000054026450 635327695 /nfs/dbraw/zinc/32/76/95/635327695.db2.gz CCCUCIANYZCFRI-UHFFFAOYSA-N 2 2 240.391 2.018 10 0 BEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCc1ccccc1 ZINC000035275199 646179996 /nfs/dbraw/zinc/17/99/96/646179996.db2.gz OHTHLENVCBWGRJ-ZDUSSCGKSA-N 2 2 229.327 2.104 10 0 BEAELP C[C@@H](C[N@@H+]1C[C@@H](F)C[C@H]1C[NH3+])C(C)(C)C ZINC000378719080 712358059 /nfs/dbraw/zinc/35/80/59/712358059.db2.gz DUZSXMMTJBXQKJ-DCAQKATOSA-N 2 2 216.344 2.040 10 0 BEAELP C[C@@H](C[N@H+]1C[C@@H](F)C[C@H]1C[NH3+])C(C)(C)C ZINC000378719080 712358060 /nfs/dbraw/zinc/35/80/60/712358060.db2.gz DUZSXMMTJBXQKJ-DCAQKATOSA-N 2 2 216.344 2.040 10 0 BEAELP C[C@H](c1ccsc1)[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000307570166 398176107 /nfs/dbraw/zinc/17/61/07/398176107.db2.gz YYQGSGGXIDHRDJ-KKZNHRDASA-N 2 2 210.346 2.231 10 0 BEAELP C[C@H](c1ccsc1)[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000307570166 398176111 /nfs/dbraw/zinc/17/61/11/398176111.db2.gz YYQGSGGXIDHRDJ-KKZNHRDASA-N 2 2 210.346 2.231 10 0 BEAELP CCC(=[NH2+])N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000306737903 398185663 /nfs/dbraw/zinc/18/56/63/398185663.db2.gz ZRSYDHOGLXPYCB-LBPRGKRZSA-N 2 2 233.359 2.484 10 0 BEAELP CCC(=[NH2+])N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000306737903 398185667 /nfs/dbraw/zinc/18/56/67/398185667.db2.gz ZRSYDHOGLXPYCB-LBPRGKRZSA-N 2 2 233.359 2.484 10 0 BEAELP Cc1cc(N2CCC[C@@H]2C[NH2+]C(C)(C)C)nc[nH+]1 ZINC000053695664 178114594 /nfs/dbraw/zinc/11/45/94/178114594.db2.gz BNFXYDKKTKNCSH-GFCCVEGCSA-N 2 2 248.374 2.142 10 0 BEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)C(C)C ZINC000050578156 178092119 /nfs/dbraw/zinc/09/21/19/178092119.db2.gz IUPAXTUJFPGDFW-ZDUSSCGKSA-N 2 2 224.323 2.474 10 0 BEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)C(C)C ZINC000050578156 178092121 /nfs/dbraw/zinc/09/21/21/178092121.db2.gz IUPAXTUJFPGDFW-ZDUSSCGKSA-N 2 2 224.323 2.474 10 0 BEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)CC1CC1 ZINC000050578702 178092143 /nfs/dbraw/zinc/09/21/43/178092143.db2.gz ROJFYKNEBNVGIS-CQSZACIVSA-N 2 2 236.334 2.476 10 0 BEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)CC1CC1 ZINC000050578702 178092146 /nfs/dbraw/zinc/09/21/46/178092146.db2.gz ROJFYKNEBNVGIS-CQSZACIVSA-N 2 2 236.334 2.476 10 0 BEAELP Cc1cc([NH3+])ccc1N1CCC[C@H]1C[NH+](C)C ZINC000061642880 178105908 /nfs/dbraw/zinc/10/59/08/178105908.db2.gz KWLABVVLSHXNDI-ZDUSSCGKSA-N 2 2 233.359 2.108 10 0 BEAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)C(C)C)ccc1F ZINC000050545836 178235983 /nfs/dbraw/zinc/23/59/83/178235983.db2.gz GXMSSENEPBCPHC-CYBMUJFWSA-N 2 2 224.323 2.474 10 0 BEAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)C(C)C)ccc1F ZINC000050545836 178235984 /nfs/dbraw/zinc/23/59/84/178235984.db2.gz GXMSSENEPBCPHC-CYBMUJFWSA-N 2 2 224.323 2.474 10 0 BEAELP Cc1cc([C@@H](C[NH3+])[NH+]2CCCC2)c(C)s1 ZINC000049687164 178236046 /nfs/dbraw/zinc/23/60/46/178236046.db2.gz CKSBZDPTQAJAJQ-GFCCVEGCSA-N 2 2 224.373 2.461 10 0 BEAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)C2CC2)ccc1F ZINC000050545969 178261233 /nfs/dbraw/zinc/26/12/33/178261233.db2.gz IYZIEGFCHDLFDA-ZDUSSCGKSA-N 2 2 222.307 2.228 10 0 BEAELP Cc1cc([C@H](C[NH3+])[N@H+](C)C2CC2)ccc1F ZINC000050545969 178261235 /nfs/dbraw/zinc/26/12/35/178261235.db2.gz IYZIEGFCHDLFDA-ZDUSSCGKSA-N 2 2 222.307 2.228 10 0 BEAELP Cc1cc2[nH+]cn(CCCC(N)=[NH2+])c2cc1C ZINC000019485242 178305768 /nfs/dbraw/zinc/30/57/68/178305768.db2.gz RVQOEWSMKGFRDP-UHFFFAOYSA-N 2 2 230.315 2.369 10 0 BEAELP Cc1cc2[nH]c(C[C@@H](C)[NH3+])[nH+]c2cc1C ZINC000051847960 178302011 /nfs/dbraw/zinc/30/20/11/178302011.db2.gz PWUNFSKTLWUTGA-SECBINFHSA-N 2 2 203.289 2.069 10 0 BEAELP C[N@H+](C[C@@H]1CCCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000381689957 398269598 /nfs/dbraw/zinc/26/95/98/398269598.db2.gz NIWPMTUNWILPLW-WDEREUQCSA-N 2 2 232.318 2.106 10 0 BEAELP C[N@@H+](C[C@@H]1CCCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000381689957 398269601 /nfs/dbraw/zinc/26/96/01/398269601.db2.gz NIWPMTUNWILPLW-WDEREUQCSA-N 2 2 232.318 2.106 10 0 BEAELP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040671837 538972456 /nfs/dbraw/zinc/97/24/56/538972456.db2.gz HGSLDUOYXCJEAV-JSGCOSHPSA-N 2 2 218.344 2.431 10 0 BEAELP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040671837 538972457 /nfs/dbraw/zinc/97/24/57/538972457.db2.gz HGSLDUOYXCJEAV-JSGCOSHPSA-N 2 2 218.344 2.431 10 0 BEAELP CC[C@@H]1C[N@H+](C/C(C)=C\Cl)CCC[NH2+]1 ZINC000308461115 342814763 /nfs/dbraw/zinc/81/47/63/342814763.db2.gz WKZPJBXXRPRCBH-ZJRUKIMVSA-N 2 2 216.756 2.203 10 0 BEAELP CC[C@@H]1C[N@@H+](C/C(C)=C\Cl)CCC[NH2+]1 ZINC000308461115 342814764 /nfs/dbraw/zinc/81/47/64/342814764.db2.gz WKZPJBXXRPRCBH-ZJRUKIMVSA-N 2 2 216.756 2.203 10 0 BEAELP CCCC[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000380211922 538987528 /nfs/dbraw/zinc/98/75/28/538987528.db2.gz ZJUGKILWNOMTLP-RWMBFGLXSA-N 2 2 212.381 2.495 10 0 BEAELP CCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000380211922 538987529 /nfs/dbraw/zinc/98/75/29/538987529.db2.gz ZJUGKILWNOMTLP-RWMBFGLXSA-N 2 2 212.381 2.495 10 0 BEAELP C[C@@]1(c2c[nH+]cn2Cc2ccccc2)CC[NH2+]C1 ZINC000097007764 344004333 /nfs/dbraw/zinc/00/43/33/344004333.db2.gz GYOOFSWQFAEGDY-OAHLLOKOSA-N 2 2 241.338 2.182 10 0 BEAELP CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000020092022 342968799 /nfs/dbraw/zinc/96/87/99/342968799.db2.gz XZUSPJIKFBSHMU-UPJWGTAASA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000020092022 342968801 /nfs/dbraw/zinc/96/88/01/342968801.db2.gz XZUSPJIKFBSHMU-UPJWGTAASA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)[C@@H]1c2ccccc2CC[N@H+]1CC[NH3+] ZINC000309317522 343220930 /nfs/dbraw/zinc/22/09/30/343220930.db2.gz ZIQWIISAXPBXIE-CQSZACIVSA-N 2 2 218.344 2.201 10 0 BEAELP CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC[NH3+] ZINC000309317522 343220932 /nfs/dbraw/zinc/22/09/32/343220932.db2.gz ZIQWIISAXPBXIE-CQSZACIVSA-N 2 2 218.344 2.201 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000228187236 259374931 /nfs/dbraw/zinc/37/49/31/259374931.db2.gz GLDSCMYJYQBWQM-HKUMRIAESA-N 2 2 222.376 2.390 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000228187236 259374933 /nfs/dbraw/zinc/37/49/33/259374933.db2.gz GLDSCMYJYQBWQM-HKUMRIAESA-N 2 2 222.376 2.390 10 0 BEAELP CC[C@H]1C[N@H+](C[C@H]([NH3+])CC(C)C)CCS1 ZINC000133067250 344313130 /nfs/dbraw/zinc/31/31/30/344313130.db2.gz UCLVNBSPYMTYRA-NEPJUHHUSA-N 2 2 230.421 2.187 10 0 BEAELP CC[C@H]1C[N@@H+](C[C@H]([NH3+])CC(C)C)CCS1 ZINC000133067250 344313131 /nfs/dbraw/zinc/31/31/31/344313131.db2.gz UCLVNBSPYMTYRA-NEPJUHHUSA-N 2 2 230.421 2.187 10 0 BEAELP Cc1ccc(F)c([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)c1 ZINC000675054086 537891189 /nfs/dbraw/zinc/89/11/89/537891189.db2.gz LPOZPQDTMCCVBX-GXFFZTMASA-N 2 2 222.307 2.228 10 0 BEAELP Cc1ccc(F)c([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000675054086 537891195 /nfs/dbraw/zinc/89/11/95/537891195.db2.gz LPOZPQDTMCCVBX-GXFFZTMASA-N 2 2 222.307 2.228 10 0 BEAELP C[C@@H]1CCCc2[nH+]c([C@H]3CCC[NH2+]C3)cn21 ZINC000258246657 345782537 /nfs/dbraw/zinc/78/25/37/345782537.db2.gz HMLPXJGJQGOZAD-MNOVXSKESA-N 2 2 219.332 2.247 10 0 BEAELP CCOc1ccccc1C[NH+]1CCC([NH2+]C)CC1 ZINC000202078998 346585804 /nfs/dbraw/zinc/58/58/04/346585804.db2.gz UHRWMZLIFHWLFZ-UHFFFAOYSA-N 2 2 248.370 2.269 10 0 BEAELP Cc1cccc(OCC[N@@H+]2CCC[NH2+][C@H](C)C2)c1 ZINC000062623412 179165977 /nfs/dbraw/zinc/16/59/77/179165977.db2.gz PWCRVDHFSLXNSM-CQSZACIVSA-N 2 2 248.370 2.058 10 0 BEAELP Cc1cccc(OCC[N@H+]2CCC[NH2+][C@H](C)C2)c1 ZINC000062623412 179165981 /nfs/dbraw/zinc/16/59/81/179165981.db2.gz PWCRVDHFSLXNSM-CQSZACIVSA-N 2 2 248.370 2.058 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1ccc(C)s1 ZINC000250266257 362798374 /nfs/dbraw/zinc/79/83/74/362798374.db2.gz KMRQUXJYTMNNNO-KOLCDFICSA-N 2 2 210.346 2.151 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH3+])[C@H]1c1ccc(C)s1 ZINC000250266257 362798380 /nfs/dbraw/zinc/79/83/80/362798380.db2.gz KMRQUXJYTMNNNO-KOLCDFICSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)C2CC2)c1C ZINC000043314552 179198800 /nfs/dbraw/zinc/19/88/00/179198800.db2.gz RSMQQFJFSCNKEU-AWEZNQCLSA-N 2 2 218.344 2.397 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)C2CC2)c1C ZINC000043314552 179198803 /nfs/dbraw/zinc/19/88/03/179198803.db2.gz RSMQQFJFSCNKEU-AWEZNQCLSA-N 2 2 218.344 2.397 10 0 BEAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CCCOCC2)c1 ZINC000061914201 179203108 /nfs/dbraw/zinc/20/31/08/179203108.db2.gz UPOGXHKVUKWUOM-HIFRSBDPSA-N 2 2 248.370 2.106 10 0 BEAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+]2CCCOCC2)c1 ZINC000061914201 179203110 /nfs/dbraw/zinc/20/31/10/179203110.db2.gz UPOGXHKVUKWUOM-HIFRSBDPSA-N 2 2 248.370 2.106 10 0 BEAELP Cc1cccc2c([C@@H](C[NH3+])[NH+](C)C)c[nH]c21 ZINC000082596842 179211875 /nfs/dbraw/zinc/21/18/75/179211875.db2.gz CEUIXMIYVWQYKE-GFCCVEGCSA-N 2 2 217.316 2.038 10 0 BEAELP CCc1nc(N[C@@H]2CCC[N@@H+](CC)C2)cc(C)[nH+]1 ZINC000302519900 347577424 /nfs/dbraw/zinc/57/74/24/347577424.db2.gz OSQLSEGYWXFNHS-GFCCVEGCSA-N 2 2 248.374 2.244 10 0 BEAELP CCc1nc(N[C@@H]2CCC[N@H+](CC)C2)cc(C)[nH+]1 ZINC000302519900 347577425 /nfs/dbraw/zinc/57/74/25/347577425.db2.gz OSQLSEGYWXFNHS-GFCCVEGCSA-N 2 2 248.374 2.244 10 0 BEAELP Cc1ccccc1OCC[C@@H](C[NH3+])[NH+]1CCCC1 ZINC000019664415 179312152 /nfs/dbraw/zinc/31/21/52/179312152.db2.gz HESMQKDZEOAPEE-AWEZNQCLSA-N 2 2 248.370 2.187 10 0 BEAELP C[C@H]([NH3+])[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000162196041 362899837 /nfs/dbraw/zinc/89/98/37/362899837.db2.gz DQHUKOJCUHJLQD-AAEUAGOBSA-N 2 2 241.338 2.408 10 0 BEAELP CC(C)(C)[N@@H+]1CC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616613843 350068003 /nfs/dbraw/zinc/06/80/03/350068003.db2.gz SBZNKJXDWDRPEN-NSHDSACASA-N 2 2 219.332 2.082 10 0 BEAELP CC(C)(C)[N@H+]1CC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616613843 350068005 /nfs/dbraw/zinc/06/80/05/350068005.db2.gz SBZNKJXDWDRPEN-NSHDSACASA-N 2 2 219.332 2.082 10 0 BEAELP CCC(=[NH2+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000062989794 350101025 /nfs/dbraw/zinc/10/10/25/350101025.db2.gz LOKQZDPZHCIEQN-UHFFFAOYSA-N 2 2 231.343 2.191 10 0 BEAELP Cc1[nH+]c2ccccc2n1[C@H](C)[C@H](C)[NH3+] ZINC000041053917 180103166 /nfs/dbraw/zinc/10/31/66/180103166.db2.gz VDNQPTKYTAJBDP-DTWKUNHWSA-N 2 2 203.289 2.253 10 0 BEAELP CCC[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+](C)C ZINC000309237490 350215862 /nfs/dbraw/zinc/21/58/62/350215862.db2.gz XTQGMOUBYATGCW-OLZOCXBDSA-N 2 2 212.381 2.497 10 0 BEAELP Cc1nc(NC[C@H]2CCC[N@H+]2CC(C)C)cc[nH+]1 ZINC000131489132 180201619 /nfs/dbraw/zinc/20/16/19/180201619.db2.gz IVHMKCHPDNOABT-CYBMUJFWSA-N 2 2 248.374 2.317 10 0 BEAELP Cc1nc(NC[C@H]2CCC[N@@H+]2CC(C)C)cc[nH+]1 ZINC000131489132 180201621 /nfs/dbraw/zinc/20/16/21/180201621.db2.gz IVHMKCHPDNOABT-CYBMUJFWSA-N 2 2 248.374 2.317 10 0 BEAELP Cc1[nH+]cn(-c2ccc(C[NH3+])cc2F)c1C ZINC000051925522 180285390 /nfs/dbraw/zinc/28/53/90/180285390.db2.gz JPQOZLQJMPHHQG-UHFFFAOYSA-N 2 2 219.263 2.087 10 0 BEAELP Cc1ncsc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037256250 180327703 /nfs/dbraw/zinc/32/77/03/180327703.db2.gz BEYGXBQAVDZSAE-JTQLQIEISA-N 2 2 239.388 2.196 10 0 BEAELP Cc1c(N)c[nH+]cc1C1=CC[C@]2(C[C@H]2[NH3+])CC1 ZINC000725265120 538092848 /nfs/dbraw/zinc/09/28/48/538092848.db2.gz GXTHDMZKUGOETO-ZIAGYGMSSA-N 2 2 229.327 2.257 10 0 BEAELP CC(C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)CC1 ZINC000616601473 350782558 /nfs/dbraw/zinc/78/25/58/350782558.db2.gz PPYHUCIIQKFOQG-GFCCVEGCSA-N 2 2 207.321 2.319 10 0 BEAELP CC(C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)CC1 ZINC000616601473 350782561 /nfs/dbraw/zinc/78/25/61/350782561.db2.gz PPYHUCIIQKFOQG-GFCCVEGCSA-N 2 2 207.321 2.319 10 0 BEAELP COc1ccccc1[C@@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000616604101 350792704 /nfs/dbraw/zinc/79/27/04/350792704.db2.gz ASHXIAXBERZYGY-CYBMUJFWSA-N 2 2 248.370 2.223 10 0 BEAELP COc1ccccc1[C@@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000616604101 350792708 /nfs/dbraw/zinc/79/27/08/350792708.db2.gz ASHXIAXBERZYGY-CYBMUJFWSA-N 2 2 248.370 2.223 10 0 BEAELP CC(C)(C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000616620160 350933543 /nfs/dbraw/zinc/93/35/43/350933543.db2.gz GLVNWVZXBWKOPW-LLVKDONJSA-N 2 2 207.321 2.319 10 0 BEAELP CC(C)(C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000616620160 350933546 /nfs/dbraw/zinc/93/35/46/350933546.db2.gz GLVNWVZXBWKOPW-LLVKDONJSA-N 2 2 207.321 2.319 10 0 BEAELP CC(C)[N@@H+]1CCCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616653972 351194910 /nfs/dbraw/zinc/19/49/10/351194910.db2.gz HBBKGAKACYEZOO-LLVKDONJSA-N 2 2 207.321 2.388 10 0 BEAELP CC(C)[N@H+]1CCCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616653972 351194912 /nfs/dbraw/zinc/19/49/12/351194912.db2.gz HBBKGAKACYEZOO-LLVKDONJSA-N 2 2 207.321 2.388 10 0 BEAELP CC(C)(C)[N@@H+]1CCO[C@H](c2ccc[nH+]c2N)CC1 ZINC000616665408 351222300 /nfs/dbraw/zinc/22/23/00/351222300.db2.gz HQYLMVDUQBYNKP-LBPRGKRZSA-N 2 2 249.358 2.226 10 0 BEAELP CC(C)(C)[N@H+]1CCO[C@H](c2ccc[nH+]c2N)CC1 ZINC000616665408 351222304 /nfs/dbraw/zinc/22/23/04/351222304.db2.gz HQYLMVDUQBYNKP-LBPRGKRZSA-N 2 2 249.358 2.226 10 0 BEAELP Cc1ccsc1[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000306902145 351317368 /nfs/dbraw/zinc/31/73/68/351317368.db2.gz POCVEWWMLCNKMB-VHSXEESVSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccsc1[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000306902145 351317372 /nfs/dbraw/zinc/31/73/72/351317372.db2.gz POCVEWWMLCNKMB-VHSXEESVSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccsc1[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000306902144 351317606 /nfs/dbraw/zinc/31/76/06/351317606.db2.gz POCVEWWMLCNKMB-NXEZZACHSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccsc1[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000306902144 351317609 /nfs/dbraw/zinc/31/76/09/351317609.db2.gz POCVEWWMLCNKMB-NXEZZACHSA-N 2 2 210.346 2.151 10 0 BEAELP CC[C@H](C)C[NH2+]CC1CC(n2cc[nH+]c2)C1 ZINC000725268801 538101228 /nfs/dbraw/zinc/10/12/28/538101228.db2.gz BEMZFCULGRMOIN-HIFPTAJRSA-N 2 2 221.348 2.470 10 0 BEAELP C[NH2+]C[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000725269153 538101614 /nfs/dbraw/zinc/10/16/14/538101614.db2.gz MNZCRXFRXRAZDS-GFCCVEGCSA-N 2 2 224.735 2.353 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000252112648 363123481 /nfs/dbraw/zinc/12/34/81/363123481.db2.gz JTOHFWFQBVOXBU-JHJVBQTASA-N 2 2 244.448 2.446 10 0 BEAELP CC[N@@H+]1CCC[C@@H](Nc2cccc(C)[nH+]2)C1 ZINC000040503206 352598426 /nfs/dbraw/zinc/59/84/26/352598426.db2.gz ZHMBZRAUZUGJKN-GFCCVEGCSA-N 2 2 219.332 2.286 10 0 BEAELP CC[N@H+]1CCC[C@@H](Nc2cccc(C)[nH+]2)C1 ZINC000040503206 352598429 /nfs/dbraw/zinc/59/84/29/352598429.db2.gz ZHMBZRAUZUGJKN-GFCCVEGCSA-N 2 2 219.332 2.286 10 0 BEAELP C[N@H+](Cc1ccccc1)[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000306229844 352998106 /nfs/dbraw/zinc/99/81/06/352998106.db2.gz JYFFRNSNZOWEBP-RFBLXINOSA-N 2 2 242.366 2.115 10 0 BEAELP C[N@@H+](Cc1ccccc1)[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000306229844 352998110 /nfs/dbraw/zinc/99/81/10/352998110.db2.gz JYFFRNSNZOWEBP-RFBLXINOSA-N 2 2 242.366 2.115 10 0 BEAELP CC1(C)Cc2c(ccn2-c2[nH]cc[nH+]2)[C@H]([NH3+])C1 ZINC000104108084 188150831 /nfs/dbraw/zinc/15/08/31/188150831.db2.gz YEALXEZQVQFXBX-SNVBAGLBSA-N 2 2 230.315 2.173 10 0 BEAELP CC(C)[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000053343453 188164560 /nfs/dbraw/zinc/16/45/60/188164560.db2.gz SKBLASTUPTVFOX-OLZOCXBDSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)[C@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000053343453 188164561 /nfs/dbraw/zinc/16/45/61/188164561.db2.gz SKBLASTUPTVFOX-OLZOCXBDSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)C[C@@](C)(C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000019807701 188173421 /nfs/dbraw/zinc/17/34/21/188173421.db2.gz PVHVFLBNGCPXJC-OLZOCXBDSA-N 2 2 212.381 2.482 10 0 BEAELP CC(C)C[C@@](C)(C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000019807701 188173422 /nfs/dbraw/zinc/17/34/22/188173422.db2.gz PVHVFLBNGCPXJC-OLZOCXBDSA-N 2 2 212.381 2.482 10 0 BEAELP CC[N@@H+]1CCC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000040503114 358494381 /nfs/dbraw/zinc/49/43/81/358494381.db2.gz IBRXYYPIEZIMQP-LLVKDONJSA-N 2 2 244.342 2.459 10 0 BEAELP CC[N@H+]1CCC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000040503114 358494385 /nfs/dbraw/zinc/49/43/85/358494385.db2.gz IBRXYYPIEZIMQP-LLVKDONJSA-N 2 2 244.342 2.459 10 0 BEAELP NC(=[NH2+])CC[N@H+](Cc1ccccc1F)C1CC1 ZINC000042547803 181186906 /nfs/dbraw/zinc/18/69/06/181186906.db2.gz LZYQTEGSGFAEIN-UHFFFAOYSA-N 2 2 235.306 2.116 10 0 BEAELP NC(=[NH2+])CC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000042547803 181186908 /nfs/dbraw/zinc/18/69/08/181186908.db2.gz LZYQTEGSGFAEIN-UHFFFAOYSA-N 2 2 235.306 2.116 10 0 BEAELP Nc1ccccc1[NH+]=C1NC(=[NH2+])c2ccccc21 ZINC000039253651 181206674 /nfs/dbraw/zinc/20/66/74/181206674.db2.gz MPRKTWYKECJLFN-UHFFFAOYSA-N 2 2 236.278 2.466 10 0 BEAELP CS[C@@H]1CCCC[N@H+](CC[NH2+]C(C)C)C1 ZINC000191590177 355737553 /nfs/dbraw/zinc/73/75/53/355737553.db2.gz MXTJQDVITBPUMR-GFCCVEGCSA-N 2 2 230.421 2.202 10 0 BEAELP CS[C@@H]1CCCC[N@@H+](CC[NH2+]C(C)C)C1 ZINC000191590177 355737557 /nfs/dbraw/zinc/73/75/57/355737557.db2.gz MXTJQDVITBPUMR-GFCCVEGCSA-N 2 2 230.421 2.202 10 0 BEAELP CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389194672 355835671 /nfs/dbraw/zinc/83/56/71/355835671.db2.gz WRWGZKXXSMNWKH-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389194672 355835674 /nfs/dbraw/zinc/83/56/74/355835674.db2.gz WRWGZKXXSMNWKH-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP C[C@H]1C[C@H](C)C[NH+](CC23CCC(CC2)[NH2+]3)C1 ZINC000675056183 538477560 /nfs/dbraw/zinc/47/75/60/538477560.db2.gz LEPRMAFBNCRDIO-FEPKRQSRSA-N 2 2 222.376 2.249 10 0 BEAELP CCc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])s1 ZINC000019843271 356901573 /nfs/dbraw/zinc/90/15/73/356901573.db2.gz URXIFPDMUVRWMN-JTQLQIEISA-N 2 2 224.373 2.234 10 0 BEAELP CCc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])s1 ZINC000019843271 356901574 /nfs/dbraw/zinc/90/15/74/356901574.db2.gz URXIFPDMUVRWMN-JTQLQIEISA-N 2 2 224.373 2.234 10 0 BEAELP CC(C)[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000134116183 325344382 /nfs/dbraw/zinc/34/43/82/325344382.db2.gz SQRZWHLZUREQIZ-UPJWGTAASA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000134116183 325344385 /nfs/dbraw/zinc/34/43/85/325344385.db2.gz SQRZWHLZUREQIZ-UPJWGTAASA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C)C1CC1 ZINC000130663459 358638669 /nfs/dbraw/zinc/63/86/69/358638669.db2.gz FZSCZHWAJIUTMJ-UBHSHLNASA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C)C1CC1 ZINC000130663459 358638670 /nfs/dbraw/zinc/63/86/70/358638670.db2.gz FZSCZHWAJIUTMJ-UBHSHLNASA-N 2 2 224.392 2.493 10 0 BEAELP CCCC[C@@H](COC)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000133045668 358744425 /nfs/dbraw/zinc/74/44/25/358744425.db2.gz FLQZQMOMWWMZQC-KBPBESRZSA-N 2 2 242.407 2.266 10 0 BEAELP CCCC[C@@H](COC)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000133045668 358744429 /nfs/dbraw/zinc/74/44/29/358744429.db2.gz FLQZQMOMWWMZQC-KBPBESRZSA-N 2 2 242.407 2.266 10 0 BEAELP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1F ZINC000054764735 358872851 /nfs/dbraw/zinc/87/28/51/358872851.db2.gz ZJIPNBGOYXAFSZ-VIFPVBQESA-N 2 2 249.289 2.408 10 0 BEAELP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000070143865 359042817 /nfs/dbraw/zinc/04/28/17/359042817.db2.gz RZZDBLWWNYQYKC-LBPRGKRZSA-N 2 2 238.379 2.010 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)C2CCC2)[C@@H](C)C1 ZINC000309044804 491143323 /nfs/dbraw/zinc/14/33/23/491143323.db2.gz NTFHGRDLZUIELD-GVXVVHGQSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)C2CCC2)[C@@H](C)C1 ZINC000309044804 491143324 /nfs/dbraw/zinc/14/33/24/491143324.db2.gz NTFHGRDLZUIELD-GVXVVHGQSA-N 2 2 210.365 2.105 10 0 BEAELP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069800120 360558548 /nfs/dbraw/zinc/55/85/48/360558548.db2.gz HGMGTWFYVBZVMA-MNOVXSKESA-N 2 2 210.346 2.231 10 0 BEAELP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069800120 360558552 /nfs/dbraw/zinc/55/85/52/360558552.db2.gz HGMGTWFYVBZVMA-MNOVXSKESA-N 2 2 210.346 2.231 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccco2)C1 ZINC000328205507 364817899 /nfs/dbraw/zinc/81/78/99/364817899.db2.gz TXNPRKVWLQSSHG-OLZOCXBDSA-N 2 2 236.359 2.285 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccco2)C1 ZINC000328205507 364817905 /nfs/dbraw/zinc/81/79/05/364817905.db2.gz TXNPRKVWLQSSHG-OLZOCXBDSA-N 2 2 236.359 2.285 10 0 BEAELP [NH3+]CC[N@H+](Cc1cccs1)C1CCCC1 ZINC000032014872 181390952 /nfs/dbraw/zinc/39/09/52/181390952.db2.gz NIPLWVMEMVYYAX-UHFFFAOYSA-N 2 2 224.373 2.451 10 0 BEAELP [NH3+]CC[N@@H+](Cc1cccs1)C1CCCC1 ZINC000032014872 181390954 /nfs/dbraw/zinc/39/09/54/181390954.db2.gz NIPLWVMEMVYYAX-UHFFFAOYSA-N 2 2 224.373 2.451 10 0 BEAELP [NH3+]CC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000037712623 181397720 /nfs/dbraw/zinc/39/77/20/181397720.db2.gz VPQOIXJRQVRNBD-UHFFFAOYSA-N 2 2 234.274 2.134 10 0 BEAELP C[N@@H+]1CCCC[C@@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799269 373807473 /nfs/dbraw/zinc/80/74/73/373807473.db2.gz QCBIQUCYHQZHNA-MNOVXSKESA-N 2 2 210.346 2.232 10 0 BEAELP C[N@H+]1CCCC[C@@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799269 373807478 /nfs/dbraw/zinc/80/74/78/373807478.db2.gz QCBIQUCYHQZHNA-MNOVXSKESA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1ccc(C)s1 ZINC000069799720 373807508 /nfs/dbraw/zinc/80/75/08/373807508.db2.gz KMRQUXJYTMNNNO-GXSJLCMTSA-N 2 2 210.346 2.151 10 0 BEAELP CC[N@H+]1CC[C@H]([NH3+])[C@@H]1c1ccc(C)s1 ZINC000069799720 373807513 /nfs/dbraw/zinc/80/75/13/373807513.db2.gz KMRQUXJYTMNNNO-GXSJLCMTSA-N 2 2 210.346 2.151 10 0 BEAELP CCCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178299146 134306264 /nfs/dbraw/zinc/30/62/64/134306264.db2.gz TZVXVODJWJIYLB-ZDUSSCGKSA-N 2 2 221.348 2.456 10 0 BEAELP CCCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178299146 134306265 /nfs/dbraw/zinc/30/62/65/134306265.db2.gz TZVXVODJWJIYLB-ZDUSSCGKSA-N 2 2 221.348 2.456 10 0 BEAELP C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000042944581 374298476 /nfs/dbraw/zinc/29/84/76/374298476.db2.gz QTPXZKPCJBDDKS-GZMMTYOYSA-N 2 2 212.724 2.290 10 0 BEAELP C[C@@H](C[NH3+])[N@@H+]1CCc2sccc2[C@H]1C ZINC000042744042 374285661 /nfs/dbraw/zinc/28/56/61/374285661.db2.gz IWBFHRBBYDXTBC-DTWKUNHWSA-N 2 2 210.346 2.014 10 0 BEAELP C[C@@H](C[NH3+])[N@H+]1CCc2sccc2[C@H]1C ZINC000042744042 374285665 /nfs/dbraw/zinc/28/56/65/374285665.db2.gz IWBFHRBBYDXTBC-DTWKUNHWSA-N 2 2 210.346 2.014 10 0 BEAELP CCC[N@H+](CC[NH2+]C)Cc1cccc(OC)c1 ZINC000042404214 169159086 /nfs/dbraw/zinc/15/90/86/169159086.db2.gz XOEMAESJFZJOBA-UHFFFAOYSA-N 2 2 236.359 2.127 10 0 BEAELP CCC[N@@H+](CC[NH2+]C)Cc1cccc(OC)c1 ZINC000042404214 169159087 /nfs/dbraw/zinc/15/90/87/169159087.db2.gz XOEMAESJFZJOBA-UHFFFAOYSA-N 2 2 236.359 2.127 10 0 BEAELP CCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297346 169207315 /nfs/dbraw/zinc/20/73/15/169207315.db2.gz BQJDAAQJCZJNAG-OAHLLOKOSA-N 2 2 247.386 2.245 10 0 BEAELP CCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297346 169207316 /nfs/dbraw/zinc/20/73/16/169207316.db2.gz BQJDAAQJCZJNAG-OAHLLOKOSA-N 2 2 247.386 2.245 10 0 BEAELP CCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297346 169207317 /nfs/dbraw/zinc/20/73/17/169207317.db2.gz BQJDAAQJCZJNAG-OAHLLOKOSA-N 2 2 247.386 2.245 10 0 BEAELP CCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195297346 169207318 /nfs/dbraw/zinc/20/73/18/169207318.db2.gz BQJDAAQJCZJNAG-OAHLLOKOSA-N 2 2 247.386 2.245 10 0 BEAELP c1cc([NH+]2CCCC2)ccc1NC1CC[NH2+]CC1 ZINC000038041273 183355893 /nfs/dbraw/zinc/35/58/93/183355893.db2.gz JDRHQBAMYNQCAT-UHFFFAOYSA-N 2 2 245.370 2.451 10 0 BEAELP c1cn(C[C@@H]2CCC[NH2+]2)c(-c2ccccc2)[nH+]1 ZINC000043496149 183383629 /nfs/dbraw/zinc/38/36/29/183383629.db2.gz MCOXMVIQCPBDFD-ZDUSSCGKSA-N 2 2 227.311 2.302 10 0 BEAELP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1[C@@H]1CCOC1 ZINC000112174102 169286500 /nfs/dbraw/zinc/28/65/00/169286500.db2.gz LTMKKNQXXACDKL-MCIONIFRSA-N 2 2 240.391 2.018 10 0 BEAELP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1[C@@H]1CCOC1 ZINC000112174102 169286502 /nfs/dbraw/zinc/28/65/02/169286502.db2.gz LTMKKNQXXACDKL-MCIONIFRSA-N 2 2 240.391 2.018 10 0 BEAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+]C3CCC3)C2)cc1 ZINC000052208751 183392755 /nfs/dbraw/zinc/39/27/55/183392755.db2.gz WEEYSAJFJKMKJR-MRXNPFEDSA-N 2 2 244.382 2.446 10 0 BEAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+]C3CCC3)C2)cc1 ZINC000052208751 183392758 /nfs/dbraw/zinc/39/27/58/183392758.db2.gz WEEYSAJFJKMKJR-MRXNPFEDSA-N 2 2 244.382 2.446 10 0 BEAELP c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683969 183394651 /nfs/dbraw/zinc/39/46/51/183394651.db2.gz USTGAQHTSVNNHE-CQSZACIVSA-N 2 2 230.355 2.055 10 0 BEAELP c1ccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683969 183394652 /nfs/dbraw/zinc/39/46/52/183394652.db2.gz USTGAQHTSVNNHE-CQSZACIVSA-N 2 2 230.355 2.055 10 0 BEAELP CCC[NH2+][C@@H](C)C[N@H+](CC1CC1)C(C)C ZINC000043975141 169275191 /nfs/dbraw/zinc/27/51/91/169275191.db2.gz XWCPGKBVKMOHOP-LBPRGKRZSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[NH2+][C@@H](C)C[N@@H+](CC1CC1)C(C)C ZINC000043975141 169275193 /nfs/dbraw/zinc/27/51/93/169275193.db2.gz XWCPGKBVKMOHOP-LBPRGKRZSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[NH2+][C@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1C ZINC000049712448 169291620 /nfs/dbraw/zinc/29/16/20/169291620.db2.gz JJISCRYVMPDVFM-ZFWWWQNUSA-N 2 2 247.386 2.292 10 0 BEAELP CCC[NH2+][C@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1C ZINC000049712448 169291622 /nfs/dbraw/zinc/29/16/22/169291622.db2.gz JJISCRYVMPDVFM-ZFWWWQNUSA-N 2 2 247.386 2.292 10 0 BEAELP CCCOc1ccc([C@H]([NH3+])Cn2cc[nH+]c2)cc1 ZINC000022563726 169322148 /nfs/dbraw/zinc/32/21/48/169322148.db2.gz DZGLKLWFIMBQGG-CQSZACIVSA-N 2 2 245.326 2.372 10 0 BEAELP CCCOc1cccc([C@H](C[NH3+])[NH2+]C2CC2)c1 ZINC000052921297 169325670 /nfs/dbraw/zinc/32/56/70/169325670.db2.gz LRVYMEFATFMUQP-AWEZNQCLSA-N 2 2 234.343 2.227 10 0 BEAELP CCC[C@@H](C)C[NH2+]CCCn1cc[nH+]c1 ZINC000020506106 169359196 /nfs/dbraw/zinc/35/91/96/169359196.db2.gz YLMRXAARBKBCGV-GFCCVEGCSA-N 2 2 209.337 2.299 10 0 BEAELP CCC[C@@H]([NH3+])[C@H](CC)[N@H+](C)Cc1ccccn1 ZINC000036777346 169392499 /nfs/dbraw/zinc/39/24/99/169392499.db2.gz CDSJVUJUHHWQSK-KGLIPLIRSA-N 2 2 235.375 2.419 10 0 BEAELP CCC[C@@H]([NH3+])[C@H](CC)[N@@H+](C)Cc1ccccn1 ZINC000036777346 169392501 /nfs/dbraw/zinc/39/25/01/169392501.db2.gz CDSJVUJUHHWQSK-KGLIPLIRSA-N 2 2 235.375 2.419 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000348149547 383900306 /nfs/dbraw/zinc/90/03/06/383900306.db2.gz KDASVDATUQJTTP-XCCSTKFXSA-N 2 2 222.376 2.247 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000348149547 383900312 /nfs/dbraw/zinc/90/03/12/383900312.db2.gz KDASVDATUQJTTP-XCCSTKFXSA-N 2 2 222.376 2.247 10 0 BEAELP C[NH+](C)CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037184147 383954654 /nfs/dbraw/zinc/95/46/54/383954654.db2.gz MHIQEMLFWOHRHG-CQSZACIVSA-N 2 2 236.334 2.428 10 0 BEAELP [NH3+]Cc1cccc(Oc2cc[nH+]cc2)c1 ZINC000039090714 384100912 /nfs/dbraw/zinc/10/09/12/384100912.db2.gz HEZVDGSFVTWEBA-UHFFFAOYSA-N 2 2 200.241 2.333 10 0 BEAELP [NH3+]Cc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000039090715 384101066 /nfs/dbraw/zinc/10/10/66/384101066.db2.gz XDERPEULXRRDMZ-UHFFFAOYSA-N 2 2 200.241 2.333 10 0 BEAELP CC[C@H]([NH2+][C@H]1C[N@H+](CC)C[C@H]1C)C(C)C ZINC000336773676 384271073 /nfs/dbraw/zinc/27/10/73/384271073.db2.gz ZAGDBLKGDPCSDG-AGIUHOORSA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H]([NH2+][C@H]1C[N@@H+](CC)C[C@H]1C)C(C)C ZINC000336773676 384271077 /nfs/dbraw/zinc/27/10/77/384271077.db2.gz ZAGDBLKGDPCSDG-AGIUHOORSA-N 2 2 212.381 2.351 10 0 BEAELP c1ccc2[nH+]c(NC[C@H]3CCCC[NH2+]3)[nH]c2c1 ZINC000044493249 384335797 /nfs/dbraw/zinc/33/57/97/384335797.db2.gz RJBQNMHNZSNUHK-SNVBAGLBSA-N 2 2 230.315 2.117 10 0 BEAELP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000095072295 384343369 /nfs/dbraw/zinc/34/33/69/384343369.db2.gz FGJWOBDSUVQGJH-DTWKUNHWSA-N 2 2 245.779 2.156 10 0 BEAELP CC[NH+](CC)CC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000097922851 384579580 /nfs/dbraw/zinc/57/95/80/384579580.db2.gz LEEFKJRJKNAPOA-YNEHKIRRSA-N 2 2 210.365 2.106 10 0 BEAELP CCc1cccc2c([C@@H](C[NH3+])[NH+](C)C)c[nH]c21 ZINC000082345254 384668734 /nfs/dbraw/zinc/66/87/34/384668734.db2.gz WUWKHQMLFFVFKW-CYBMUJFWSA-N 2 2 231.343 2.292 10 0 BEAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)s1 ZINC000051171437 384659049 /nfs/dbraw/zinc/65/90/49/384659049.db2.gz FVCSIQJROJBHTB-LURJTMIESA-N 2 2 227.720 2.367 10 0 BEAELP c1[nH+]c(C2CCCCC2)n2c1C[NH2+]CC2 ZINC000083986029 384825161 /nfs/dbraw/zinc/82/51/61/384825161.db2.gz OWTRKYPGJUOXGL-UHFFFAOYSA-N 2 2 205.305 2.034 10 0 BEAELP Fc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398343773 385198808 /nfs/dbraw/zinc/19/88/08/385198808.db2.gz FMOULMDLLOIMON-SECBINFHSA-N 2 2 242.725 2.178 10 0 BEAELP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCF)[NH+](C)C ZINC000308890896 385244432 /nfs/dbraw/zinc/24/44/32/385244432.db2.gz XOQAXJKCBLUUEA-IJLUTSLNSA-N 2 2 216.344 2.054 10 0 BEAELP Cc1ccc(CCC[NH2+][C@@H]2C[C@@H]2C)c[nH+]1 ZINC000309161811 385442841 /nfs/dbraw/zinc/44/28/41/385442841.db2.gz ZKRGGQZCGMWPJT-GXFFZTMASA-N 2 2 204.317 2.321 10 0 BEAELP c1cn2c([nH+]1)[C@@H](C[NH2+]C1CCCC1)CCC2 ZINC000309542376 385684946 /nfs/dbraw/zinc/68/49/46/385684946.db2.gz GSMIZCIPRNVGCP-LLVKDONJSA-N 2 2 219.332 2.293 10 0 BEAELP FCC[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000309553265 385687033 /nfs/dbraw/zinc/68/70/33/385687033.db2.gz GSGBZFWMRICBQQ-UHFFFAOYSA-N 2 2 242.363 2.272 10 0 BEAELP FCC[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000309583016 385715904 /nfs/dbraw/zinc/71/59/04/385715904.db2.gz RCOASHRCCUVRGK-CHWSQXEVSA-N 2 2 228.355 2.200 10 0 BEAELP CC(C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000221794338 386019482 /nfs/dbraw/zinc/01/94/82/386019482.db2.gz LRLRTSWPZXUMIZ-RWMBFGLXSA-N 2 2 212.381 2.349 10 0 BEAELP CC(C)[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000221794338 386019488 /nfs/dbraw/zinc/01/94/88/386019488.db2.gz LRLRTSWPZXUMIZ-RWMBFGLXSA-N 2 2 212.381 2.349 10 0 BEAELP CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)C1CCC1 ZINC000324882965 386678839 /nfs/dbraw/zinc/67/88/39/386678839.db2.gz DUIHIFDPPCDISI-STQMWFEESA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)C1CCC1 ZINC000324882965 386678844 /nfs/dbraw/zinc/67/88/44/386678844.db2.gz DUIHIFDPPCDISI-STQMWFEESA-N 2 2 210.365 2.249 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1cccc(C(F)(F)F)c1Cl ZINC000044470329 386779983 /nfs/dbraw/zinc/77/99/83/386779983.db2.gz TUUQXTXIOQPCPT-ZETCQYMHSA-N 2 2 238.640 2.317 10 0 BEAELP [NH3+]CCC[C@H]([NH3+])c1cc(Cl)c(O)c(Cl)c1 ZINC000575440116 387127754 /nfs/dbraw/zinc/12/77/54/387127754.db2.gz IUXQQDXVRQRBBC-VIFPVBQESA-N 2 2 249.141 2.438 10 0 BEAELP CC(C)[C@H](C)c1[nH+]c2n(c1C[NH3+])CCCC2 ZINC000536956032 387169495 /nfs/dbraw/zinc/16/94/95/387169495.db2.gz WVUNNJAMWFTDCM-JTQLQIEISA-N 2 2 221.348 2.438 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1cccc(Oc2ccccc2)c1 ZINC000035677107 387437587 /nfs/dbraw/zinc/43/75/87/387437587.db2.gz GHBHZJDTNBYFHH-AWEZNQCLSA-N 2 2 228.295 2.437 10 0 BEAELP COC[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C(C)C ZINC000126354901 387679627 /nfs/dbraw/zinc/67/96/27/387679627.db2.gz YRUFFUJZWDHKAW-KGLIPLIRSA-N 2 2 244.423 2.223 10 0 BEAELP C[NH2+][C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000036460132 387876332 /nfs/dbraw/zinc/87/63/32/387876332.db2.gz URJHONVAMMIWCR-CQSZACIVSA-N 2 2 218.344 2.261 10 0 BEAELP C[NH2+][C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000036460132 387876338 /nfs/dbraw/zinc/87/63/38/387876338.db2.gz URJHONVAMMIWCR-CQSZACIVSA-N 2 2 218.344 2.261 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)[C@H]1C[C@@H]1C ZINC000321034235 387935202 /nfs/dbraw/zinc/93/52/02/387935202.db2.gz DGOVODOQKIDSAM-CRWXNKLISA-N 2 2 224.392 2.495 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)[C@H]1C[C@@H]1C ZINC000321034235 387935208 /nfs/dbraw/zinc/93/52/08/387935208.db2.gz DGOVODOQKIDSAM-CRWXNKLISA-N 2 2 224.392 2.495 10 0 BEAELP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000040989283 388029123 /nfs/dbraw/zinc/02/91/23/388029123.db2.gz PXAZIACTDRVCIK-WDEREUQCSA-N 2 2 210.346 2.060 10 0 BEAELP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000040989283 388029125 /nfs/dbraw/zinc/02/91/25/388029125.db2.gz PXAZIACTDRVCIK-WDEREUQCSA-N 2 2 210.346 2.060 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000233490103 388347178 /nfs/dbraw/zinc/34/71/78/388347178.db2.gz WTFSSGLHUNOCBB-ROKHWSDSSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000233490103 388347180 /nfs/dbraw/zinc/34/71/80/388347180.db2.gz WTFSSGLHUNOCBB-ROKHWSDSSA-N 2 2 224.392 2.495 10 0 BEAELP CC[NH+]1CCC(CCc2c[nH+]c[nH]2)CC1 ZINC000013612839 388404894 /nfs/dbraw/zinc/40/48/94/388404894.db2.gz QWJFDDXRCODOFF-UHFFFAOYSA-N 2 2 207.321 2.074 10 0 BEAELP CC[NH+]1CCC(CCc2c[nH]c[nH+]2)CC1 ZINC000013612839 388404895 /nfs/dbraw/zinc/40/48/95/388404895.db2.gz QWJFDDXRCODOFF-UHFFFAOYSA-N 2 2 207.321 2.074 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000336326606 388455923 /nfs/dbraw/zinc/45/59/23/388455923.db2.gz SOMJAEVNRGAJIC-GXSJLCMTSA-N 2 2 219.332 2.045 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000336326606 388455926 /nfs/dbraw/zinc/45/59/26/388455926.db2.gz SOMJAEVNRGAJIC-GXSJLCMTSA-N 2 2 219.332 2.045 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CC2)C1 ZINC000246269700 388628326 /nfs/dbraw/zinc/62/83/26/388628326.db2.gz RQEQCOPNQBMYLJ-NQBHXWOUSA-N 2 2 210.365 2.103 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CC2)C1 ZINC000246269700 388628328 /nfs/dbraw/zinc/62/83/28/388628328.db2.gz RQEQCOPNQBMYLJ-NQBHXWOUSA-N 2 2 210.365 2.103 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000246449928 388636500 /nfs/dbraw/zinc/63/65/00/388636500.db2.gz PEJYVBQJOCDYIZ-BZPMIXESSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000246449928 388636504 /nfs/dbraw/zinc/63/65/04/388636504.db2.gz PEJYVBQJOCDYIZ-BZPMIXESSA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C ZINC000272000077 389028198 /nfs/dbraw/zinc/02/81/98/389028198.db2.gz HZRIPDGIKKOWGR-LLVKDONJSA-N 2 2 209.337 2.297 10 0 BEAELP CC[C@@H]1CCCCN1c1cc[nH+]c(C[NH3+])c1 ZINC000051396656 132360010 /nfs/dbraw/zinc/36/00/10/132360010.db2.gz DASWLLWOWBXEKR-GFCCVEGCSA-N 2 2 219.332 2.309 10 0 BEAELP C[C@@H]1CCCN(c2cc[nH+]c(C[NH3+])c2)[C@@H]1C ZINC000051396020 132360135 /nfs/dbraw/zinc/36/01/35/132360135.db2.gz FROVZDXINZKCEI-GHMZBOCLSA-N 2 2 219.332 2.165 10 0 BEAELP C[C@@H]1C[C@@H](C)CCN1c1cc[nH+]c(C[NH3+])c1 ZINC000051748755 132361813 /nfs/dbraw/zinc/36/18/13/132361813.db2.gz ULCKDFGMISZHEM-WDEREUQCSA-N 2 2 219.332 2.165 10 0 BEAELP C[N@@H+]1CC[C@H]2CC[NH+](CC3(C)CCC3)[C@@H]2C1 ZINC000336138267 134096789 /nfs/dbraw/zinc/09/67/89/134096789.db2.gz LPOXTYGRQMSUSW-QWHCGFSZSA-N 2 2 222.376 2.203 10 0 BEAELP C[N@H+]1CC[C@H]2CC[NH+](CC3(C)CCC3)[C@@H]2C1 ZINC000336138267 134096790 /nfs/dbraw/zinc/09/67/90/134096790.db2.gz LPOXTYGRQMSUSW-QWHCGFSZSA-N 2 2 222.376 2.203 10 0 BEAELP C[NH+]1CC[C@H]2CC[N@H+](CC3(C)CCC3)[C@@H]2C1 ZINC000336138267 134096791 /nfs/dbraw/zinc/09/67/91/134096791.db2.gz LPOXTYGRQMSUSW-QWHCGFSZSA-N 2 2 222.376 2.203 10 0 BEAELP C[NH+]1CC[C@H]2CC[N@@H+](CC3(C)CCC3)[C@@H]2C1 ZINC000336138267 134096792 /nfs/dbraw/zinc/09/67/92/134096792.db2.gz LPOXTYGRQMSUSW-QWHCGFSZSA-N 2 2 222.376 2.203 10 0 BEAELP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000217502029 134249021 /nfs/dbraw/zinc/24/90/21/134249021.db2.gz VNEZORRJPBYODI-DGCLKSJQSA-N 2 2 234.343 2.179 10 0 BEAELP COc1cccc([C@@H](C)[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000217502029 134249022 /nfs/dbraw/zinc/24/90/22/134249022.db2.gz VNEZORRJPBYODI-DGCLKSJQSA-N 2 2 234.343 2.179 10 0 BEAELP COc1ccccc1C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261551512 135190616 /nfs/dbraw/zinc/19/06/16/135190616.db2.gz WNJCGXLIEFXPBA-OCCSQVGLSA-N 2 2 248.370 2.254 10 0 BEAELP COc1ccccc1C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261551512 135190617 /nfs/dbraw/zinc/19/06/17/135190617.db2.gz WNJCGXLIEFXPBA-OCCSQVGLSA-N 2 2 248.370 2.254 10 0 BEAELP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccccc1OC ZINC000261554912 135194253 /nfs/dbraw/zinc/19/42/53/135194253.db2.gz PJYPOBKNDIFTPW-WZRBSPASSA-N 2 2 236.359 2.472 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2C)C1 ZINC000382299137 397934358 /nfs/dbraw/zinc/93/43/58/397934358.db2.gz MXSJOYSVUFWAQK-ZWNOBZJWSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2C)C1 ZINC000382299137 397934360 /nfs/dbraw/zinc/93/43/60/397934360.db2.gz MXSJOYSVUFWAQK-ZWNOBZJWSA-N 2 2 238.400 2.486 10 0 BEAELP CC(C)[N@H+]1C[C@H]([NH2+][C@H]2CSC[C@H]2C)[C@@H](C)C1 ZINC000336691027 167033565 /nfs/dbraw/zinc/03/35/65/167033565.db2.gz WPIMPDDQSUFNKL-RNJOBUHISA-N 2 2 242.432 2.056 10 0 BEAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@H]2CSC[C@H]2C)[C@@H](C)C1 ZINC000336691027 167033568 /nfs/dbraw/zinc/03/35/68/167033568.db2.gz WPIMPDDQSUFNKL-RNJOBUHISA-N 2 2 242.432 2.056 10 0 BEAELP C[NH2+]C(C)(C)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000061319703 173319393 /nfs/dbraw/zinc/31/93/93/173319393.db2.gz IEAJRZSCLULCBV-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)[NH2+]CC(C)(C)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000051209715 167098278 /nfs/dbraw/zinc/09/82/78/167098278.db2.gz NPWLRIHHRUEMFC-STQMWFEESA-N 2 2 242.407 2.120 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000393240984 487569118 /nfs/dbraw/zinc/56/91/18/487569118.db2.gz OBAIIYRRAPUHOF-NWDGAFQWSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000393240984 487569123 /nfs/dbraw/zinc/56/91/23/487569123.db2.gz OBAIIYRRAPUHOF-NWDGAFQWSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000393359888 410676916 /nfs/dbraw/zinc/67/69/16/410676916.db2.gz TWENVGNGYAMQIS-LBPRGKRZSA-N 2 2 210.365 2.106 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000393359888 410676921 /nfs/dbraw/zinc/67/69/21/410676921.db2.gz TWENVGNGYAMQIS-LBPRGKRZSA-N 2 2 210.365 2.106 10 0 BEAELP CCC1([NH2+]C[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC000395313593 410844283 /nfs/dbraw/zinc/84/42/83/410844283.db2.gz HZJYGNAXBOMBGM-LBPRGKRZSA-N 2 2 210.365 2.393 10 0 BEAELP CCC1([NH2+]C[C@@H]2CCC[N@H+]2C)CCCC1 ZINC000395313593 410844290 /nfs/dbraw/zinc/84/42/90/410844290.db2.gz HZJYGNAXBOMBGM-LBPRGKRZSA-N 2 2 210.365 2.393 10 0 BEAELP CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000651198458 410858218 /nfs/dbraw/zinc/85/82/18/410858218.db2.gz NTTCTQKLZMVWGM-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000651198458 410858222 /nfs/dbraw/zinc/85/82/22/410858222.db2.gz NTTCTQKLZMVWGM-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000336653181 167027165 /nfs/dbraw/zinc/02/71/65/167027165.db2.gz GAGYLENCSHCRIL-RGDJUOJXSA-N 2 2 224.392 2.349 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000336653181 167027167 /nfs/dbraw/zinc/02/71/67/167027167.db2.gz GAGYLENCSHCRIL-RGDJUOJXSA-N 2 2 224.392 2.349 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309687526 167030940 /nfs/dbraw/zinc/03/09/40/167030940.db2.gz OOQDWSHQSRQGRY-DGCLKSJQSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309687526 167030939 /nfs/dbraw/zinc/03/09/39/167030939.db2.gz OOQDWSHQSRQGRY-DGCLKSJQSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050598807 167105041 /nfs/dbraw/zinc/10/50/41/167105041.db2.gz ZSSQTYXVCXLXFJ-OAHLLOKOSA-N 2 2 232.371 2.474 10 0 BEAELP CC(C)[NH2+]CC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050598807 167105043 /nfs/dbraw/zinc/10/50/43/167105043.db2.gz ZSSQTYXVCXLXFJ-OAHLLOKOSA-N 2 2 232.371 2.474 10 0 BEAELP CC(C)[NH2+][C@@H](C[NH3+])c1ccccc1OC(F)F ZINC000050270917 167132745 /nfs/dbraw/zinc/13/27/45/167132745.db2.gz ZAOMPKDIPOPWHA-JTQLQIEISA-N 2 2 244.285 2.286 10 0 BEAELP C[C@@H](C[NH2+]Cc1cccc2cnccc21)[NH+](C)C ZINC000061125426 411151375 /nfs/dbraw/zinc/15/13/75/411151375.db2.gz DBXIJYFAQTXZMY-LBPRGKRZSA-N 2 2 243.354 2.275 10 0 BEAELP CC[C@H]([NH2+][C@H]1C[N@H+](CC)C[C@@H]1C)C(C)C ZINC000336773677 411181588 /nfs/dbraw/zinc/18/15/88/411181588.db2.gz ZAGDBLKGDPCSDG-AVGNSLFASA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H]([NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C)C(C)C ZINC000336773677 411181590 /nfs/dbraw/zinc/18/15/90/411181590.db2.gz ZAGDBLKGDPCSDG-AVGNSLFASA-N 2 2 212.381 2.351 10 0 BEAELP CC1CC([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000334522325 168145744 /nfs/dbraw/zinc/14/57/44/168145744.db2.gz BHYWRABYKHIXRW-CXQJBGSLSA-N 2 2 219.332 2.149 10 0 BEAELP CC1CCC(C[NH3+])([N@H+](C)Cc2ccccn2)CC1 ZINC000036777273 168152998 /nfs/dbraw/zinc/15/29/98/168152998.db2.gz PHDMJYCJVISVJR-UHFFFAOYSA-N 2 2 247.386 2.421 10 0 BEAELP CC1CCC(C[NH3+])([N@@H+](C)Cc2ccccn2)CC1 ZINC000036777273 168153001 /nfs/dbraw/zinc/15/30/01/168153001.db2.gz PHDMJYCJVISVJR-UHFFFAOYSA-N 2 2 247.386 2.421 10 0 BEAELP CC1CCC([N@H+](C)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042487647 168159852 /nfs/dbraw/zinc/15/98/52/168159852.db2.gz ZHEDRJHOONJBHM-TYUFSLCMSA-N 2 2 210.365 2.377 10 0 BEAELP CC1CCC([N@@H+](C)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042487647 168159853 /nfs/dbraw/zinc/15/98/53/168159853.db2.gz ZHEDRJHOONJBHM-TYUFSLCMSA-N 2 2 210.365 2.377 10 0 BEAELP C[C@@H]([NH3+])[C@H]([NH+]1CCC(C)CC1)C(C)(C)C ZINC000043291292 168186407 /nfs/dbraw/zinc/18/64/07/168186407.db2.gz GWKGYWYRBAHDGC-NEPJUHHUSA-N 2 2 212.381 2.480 10 0 BEAELP CC1CC[NH+]([C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000023071618 168186590 /nfs/dbraw/zinc/18/65/90/168186590.db2.gz XELKFMCLAAPBCM-QWHCGFSZSA-N 2 2 210.365 2.378 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657385881 411489363 /nfs/dbraw/zinc/48/93/63/411489363.db2.gz UPYPHWTYNSDWEY-PWSUYJOCSA-N 2 2 219.332 2.108 10 0 BEAELP CC[N@@H+]1CC[C@H](CNc2ccc(C)c[nH+]2)C1 ZINC000037484455 170017444 /nfs/dbraw/zinc/01/74/44/170017444.db2.gz ZRFJKGDAKKMZRX-GFCCVEGCSA-N 2 2 219.332 2.144 10 0 BEAELP CC[N@H+]1CC[C@H](CNc2ccc(C)c[nH+]2)C1 ZINC000037484455 170017445 /nfs/dbraw/zinc/01/74/45/170017445.db2.gz ZRFJKGDAKKMZRX-GFCCVEGCSA-N 2 2 219.332 2.144 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000328221130 170022685 /nfs/dbraw/zinc/02/26/85/170022685.db2.gz YNAFHMLVFUQQTA-DGAVXFQQSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000328221130 170022686 /nfs/dbraw/zinc/02/26/86/170022686.db2.gz YNAFHMLVFUQQTA-DGAVXFQQSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000336899008 170022761 /nfs/dbraw/zinc/02/27/61/170022761.db2.gz QXDSWSUQBDEYCF-YIYPIFLZSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000336899008 170022763 /nfs/dbraw/zinc/02/27/63/170022763.db2.gz QXDSWSUQBDEYCF-YIYPIFLZSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC000309034843 170034948 /nfs/dbraw/zinc/03/49/48/170034948.db2.gz HOFOMBIJFSYNPG-RYUDHWBXSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]CC2CCCCC2)[C@@H](C)C1 ZINC000309897292 170035888 /nfs/dbraw/zinc/03/58/88/170035888.db2.gz GIYHLHVRSARQJU-JSGCOSHPSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@H]2CCC2(C)C)[C@@H](C)C1 ZINC000309061766 170036810 /nfs/dbraw/zinc/03/68/10/170036810.db2.gz XDESWJGQIHIEBE-SRVKXCTJSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCC2(C)C)[C@@H](C)C1 ZINC000309061766 170036811 /nfs/dbraw/zinc/03/68/11/170036811.db2.gz XDESWJGQIHIEBE-SRVKXCTJSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000309034595 170039327 /nfs/dbraw/zinc/03/93/27/170039327.db2.gz HJHCUHJFXFDRSM-YNEHKIRRSA-N 2 2 212.381 2.351 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000309034595 170039328 /nfs/dbraw/zinc/03/93/28/170039328.db2.gz HJHCUHJFXFDRSM-YNEHKIRRSA-N 2 2 212.381 2.351 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H]2C)C1 ZINC000336763988 170040237 /nfs/dbraw/zinc/04/02/37/170040237.db2.gz PMFJRTVGBCFJQA-ZDEQEGDKSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H]2C)C1 ZINC000336763988 170040238 /nfs/dbraw/zinc/04/02/38/170040238.db2.gz PMFJRTVGBCFJQA-ZDEQEGDKSA-N 2 2 210.365 2.105 10 0 BEAELP CC[NH2+]C[C@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000104409046 170122564 /nfs/dbraw/zinc/12/25/64/170122564.db2.gz DCJVZTKUUJJPIM-OAHLLOKOSA-N 2 2 247.386 2.088 10 0 BEAELP CC[NH2+]C[C@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000104409046 170122566 /nfs/dbraw/zinc/12/25/66/170122566.db2.gz DCJVZTKUUJJPIM-OAHLLOKOSA-N 2 2 247.386 2.088 10 0 BEAELP CC[NH2+]C[C@](C)(CC)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000051209965 170123728 /nfs/dbraw/zinc/12/37/28/170123728.db2.gz FTPQLRJJCONKIN-MJBXVCDLSA-N 2 2 242.407 2.121 10 0 BEAELP CC[NH2+]C[C@](C)(CC)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000051209965 170123729 /nfs/dbraw/zinc/12/37/29/170123729.db2.gz FTPQLRJJCONKIN-MJBXVCDLSA-N 2 2 242.407 2.121 10 0 BEAELP CC[NH2+][C@@H](C)C[N@@H+]1CCCc2ccccc2C1 ZINC000062944507 170138912 /nfs/dbraw/zinc/13/89/12/170138912.db2.gz HHDJEMBHZIFHKW-ZDUSSCGKSA-N 2 2 232.371 2.433 10 0 BEAELP CC[NH2+][C@@H](C)C[N@H+]1CCCc2ccccc2C1 ZINC000062944507 170138914 /nfs/dbraw/zinc/13/89/14/170138914.db2.gz HHDJEMBHZIFHKW-ZDUSSCGKSA-N 2 2 232.371 2.433 10 0 BEAELP CC[NH2+][C@@H](C)Cc1[nH+]c2cc(C)ccc2n1C ZINC000061181841 170139872 /nfs/dbraw/zinc/13/98/72/170139872.db2.gz GVUFTBDQPMTPPU-NSHDSACASA-N 2 2 231.343 2.422 10 0 BEAELP CC[NH2+][C@@H](C)Cc1[nH]c2ccc(C)cc2[nH+]1 ZINC000061181827 170139882 /nfs/dbraw/zinc/13/98/82/170139882.db2.gz FJBXTGLLLDYXAW-JTQLQIEISA-N 2 2 217.316 2.412 10 0 BEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccccc1F ZINC000035570328 170146625 /nfs/dbraw/zinc/14/66/25/170146625.db2.gz YPIGKWXDNZJAFF-LBPRGKRZSA-N 2 2 233.290 2.442 10 0 BEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1cccc(F)c1 ZINC000035570226 170146859 /nfs/dbraw/zinc/14/68/59/170146859.db2.gz JYPFWFSGLASPEJ-ZDUSSCGKSA-N 2 2 247.317 2.312 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000048265870 170151495 /nfs/dbraw/zinc/15/14/95/170151495.db2.gz GMAWXFKITHKDKF-CQSZACIVSA-N 2 2 218.344 2.179 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC000048265870 170151496 /nfs/dbraw/zinc/15/14/96/170151496.db2.gz GMAWXFKITHKDKF-CQSZACIVSA-N 2 2 218.344 2.179 10 0 BEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1cccc(F)c1 ZINC000035570228 170162131 /nfs/dbraw/zinc/16/21/31/170162131.db2.gz JYPFWFSGLASPEJ-CYBMUJFWSA-N 2 2 247.317 2.312 10 0 BEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccccc1 ZINC000035570537 170162542 /nfs/dbraw/zinc/16/25/42/170162542.db2.gz CNBRNROSVKBNBR-CYBMUJFWSA-N 2 2 229.327 2.173 10 0 BEAELP CCOCCC[NH2+]CC[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC000053387320 170380142 /nfs/dbraw/zinc/38/01/42/170380142.db2.gz LBXWFUNDYBTSEN-KBPBESRZSA-N 2 2 242.407 2.123 10 0 BEAELP CCOCCC[NH2+]CC[N@H+]1CC[C@H](C)C[C@@H]1C ZINC000053387320 170380144 /nfs/dbraw/zinc/38/01/44/170380144.db2.gz LBXWFUNDYBTSEN-KBPBESRZSA-N 2 2 242.407 2.123 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657844268 411610568 /nfs/dbraw/zinc/61/05/68/411610568.db2.gz IDUSLHCGYWAITM-OLZOCXBDSA-N 2 2 242.432 2.346 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657844268 411610571 /nfs/dbraw/zinc/61/05/71/411610571.db2.gz IDUSLHCGYWAITM-OLZOCXBDSA-N 2 2 242.432 2.346 10 0 BEAELP CCOc1ccc([C@@H](Cc2[nH]cc[nH+]2)[NH2+]C)cc1 ZINC000035504291 170559496 /nfs/dbraw/zinc/55/94/96/170559496.db2.gz KMDVURBMMGYONU-CYBMUJFWSA-N 2 2 245.326 2.312 10 0 BEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1CCc1cccs1 ZINC000104257671 170866276 /nfs/dbraw/zinc/86/62/76/170866276.db2.gz FAQFUPBLKZKYIB-LLVKDONJSA-N 2 2 249.383 2.467 10 0 BEAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000035784257 171056554 /nfs/dbraw/zinc/05/65/54/171056554.db2.gz DQLWGORFZURVPV-PDWCTOEPSA-N 2 2 240.391 2.002 10 0 BEAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000035784257 171056555 /nfs/dbraw/zinc/05/65/55/171056555.db2.gz DQLWGORFZURVPV-PDWCTOEPSA-N 2 2 240.391 2.002 10 0 BEAELP CC[C@H](C)C[C@](CC)(C[NH3+])[N@@H+]1CCOC[C@@H]1C ZINC000035775029 171299537 /nfs/dbraw/zinc/29/95/37/171299537.db2.gz QWGTXWBBERZKNM-MELADBBJSA-N 2 2 242.407 2.251 10 0 BEAELP CC[C@H](C)C[C@](CC)(C[NH3+])[N@H+]1CCOC[C@@H]1C ZINC000035775029 171299538 /nfs/dbraw/zinc/29/95/38/171299538.db2.gz QWGTXWBBERZKNM-MELADBBJSA-N 2 2 242.407 2.251 10 0 BEAELP CC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000037109739 171309310 /nfs/dbraw/zinc/30/93/10/171309310.db2.gz MGZZVWBVRPVORP-FZMZJTMJSA-N 2 2 236.359 2.425 10 0 BEAELP CC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000037109739 171309313 /nfs/dbraw/zinc/30/93/13/171309313.db2.gz MGZZVWBVRPVORP-FZMZJTMJSA-N 2 2 236.359 2.425 10 0 BEAELP CC[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037166982 171346321 /nfs/dbraw/zinc/34/63/21/171346321.db2.gz SKBSNWBPKVXLIG-RYUDHWBXSA-N 2 2 200.370 2.351 10 0 BEAELP CC[C@H](C)[C@H]([NH3+])C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073522 171396814 /nfs/dbraw/zinc/39/68/14/171396814.db2.gz UUXOUHJJKYPAKH-QNWHQSFQSA-N 2 2 212.381 2.338 10 0 BEAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073522 171396816 /nfs/dbraw/zinc/39/68/16/171396816.db2.gz UUXOUHJJKYPAKH-QNWHQSFQSA-N 2 2 212.381 2.338 10 0 BEAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC000037645825 173114448 /nfs/dbraw/zinc/11/44/48/173114448.db2.gz BBSBZHJGYJOQTC-JTQLQIEISA-N 2 2 240.297 2.006 10 0 BEAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC000037645825 173114449 /nfs/dbraw/zinc/11/44/49/173114449.db2.gz BBSBZHJGYJOQTC-JTQLQIEISA-N 2 2 240.297 2.006 10 0 BEAELP C[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000042545541 173123711 /nfs/dbraw/zinc/12/37/11/173123711.db2.gz WMBGAEJLUGRVLQ-OTTFEQOBSA-N 2 2 248.345 2.365 10 0 BEAELP C[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000042545541 173123713 /nfs/dbraw/zinc/12/37/13/173123713.db2.gz WMBGAEJLUGRVLQ-OTTFEQOBSA-N 2 2 248.345 2.365 10 0 BEAELP C[N@H+]1[C@@H]2CC[C@H]1CC(CNc1cccc[nH+]1)C2 ZINC000038019316 173206801 /nfs/dbraw/zinc/20/68/01/173206801.db2.gz VRWCCCRFUTXKQS-YHWZYXNKSA-N 2 2 231.343 2.366 10 0 BEAELP C[N@@H+]1[C@@H]2CC[C@H]1CC(CNc1cccc[nH+]1)C2 ZINC000038019316 173206802 /nfs/dbraw/zinc/20/68/02/173206802.db2.gz VRWCCCRFUTXKQS-YHWZYXNKSA-N 2 2 231.343 2.366 10 0 BEAELP C[NH2+]C(C)(C)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000061319703 173319391 /nfs/dbraw/zinc/31/93/91/173319391.db2.gz IEAJRZSCLULCBV-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]CCCc1[nH]cc(-c2ccccc2F)[nH+]1 ZINC000037611595 173351439 /nfs/dbraw/zinc/35/14/39/173351439.db2.gz UVPFUBFEEPDKMX-UHFFFAOYSA-N 2 2 233.290 2.368 10 0 BEAELP C[NH2+]CC[C@H](C)[NH+]1Cc2ccccc2C1 ZINC000052374352 173358383 /nfs/dbraw/zinc/35/83/83/173358383.db2.gz GJIMCNREZCYMFF-NSHDSACASA-N 2 2 204.317 2.000 10 0 BEAELP C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000039978696 173367178 /nfs/dbraw/zinc/36/71/78/173367178.db2.gz XBWHTAJATCHJOB-ZDUSSCGKSA-N 2 2 204.317 2.043 10 0 BEAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)C1CC1 ZINC000051439372 173384115 /nfs/dbraw/zinc/38/41/15/173384115.db2.gz ILWJAMITVHOKMN-UHFFFAOYSA-N 2 2 219.332 2.016 10 0 BEAELP COC1CC[NH+]([C@H](C)C[NH2+]CCC(C)C)CC1 ZINC000053490628 174029502 /nfs/dbraw/zinc/02/95/02/174029502.db2.gz NTCIWTVRXQTILO-CYBMUJFWSA-N 2 2 242.407 2.121 10 0 BEAELP COC1CC[NH+]([C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000037266217 174030496 /nfs/dbraw/zinc/03/04/96/174030496.db2.gz DATWMZZAIDNYMS-ZIAGYGMSSA-N 2 2 240.391 2.147 10 0 BEAELP COCCC[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000181284060 174264877 /nfs/dbraw/zinc/26/48/77/174264877.db2.gz TUNWCQQCAMBLFJ-RDBSUJKOSA-N 2 2 242.407 2.120 10 0 BEAELP COCCC[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000181284060 174264878 /nfs/dbraw/zinc/26/48/78/174264878.db2.gz TUNWCQQCAMBLFJ-RDBSUJKOSA-N 2 2 242.407 2.120 10 0 BEAELP COCC[N@H+]([C@H](C)[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518141 174285655 /nfs/dbraw/zinc/28/56/55/174285655.db2.gz FVKNOARXDDTBTB-DOMZBBRYSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@@H+]([C@H](C)[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518141 174285656 /nfs/dbraw/zinc/28/56/56/174285656.db2.gz FVKNOARXDDTBTB-DOMZBBRYSA-N 2 2 248.370 2.186 10 0 BEAELP COc1ccc([NH2+]C[C@@H](C)CC[NH3+])cc1 ZINC000049814317 175151726 /nfs/dbraw/zinc/15/17/26/175151726.db2.gz SYDHYBVHCGZAQA-JTQLQIEISA-N 2 2 208.305 2.092 10 0 BEAELP COc1ccc2c(c1)CC[C@H](n1cc[nH+]c1)[C@H]2[NH3+] ZINC000019264106 175209711 /nfs/dbraw/zinc/20/97/11/175209711.db2.gz ZXNARMDEXQMJAQ-KBPBESRZSA-N 2 2 243.310 2.079 10 0 BEAELP COc1ccccc1[C@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000022100062 175350887 /nfs/dbraw/zinc/35/08/87/175350887.db2.gz UZANXFOKZHRDNK-LBPRGKRZSA-N 2 2 234.343 2.052 10 0 BEAELP COc1ccccc1[C@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000022100062 175350888 /nfs/dbraw/zinc/35/08/88/175350888.db2.gz UZANXFOKZHRDNK-LBPRGKRZSA-N 2 2 234.343 2.052 10 0 BEAELP C[C@@H]([NH3+])c1cccc(OCCCn2cc[nH+]c2)c1 ZINC000049327091 175818170 /nfs/dbraw/zinc/81/81/70/175818170.db2.gz VMHDLSQTXVPPCJ-GFCCVEGCSA-N 2 2 245.326 2.372 10 0 BEAELP C[C@@H]1CCCC[C@H]1[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000042606719 176085531 /nfs/dbraw/zinc/08/55/31/176085531.db2.gz NWYUYCAJYRMMJT-CHWSQXEVSA-N 2 2 240.391 2.005 10 0 BEAELP C[C@@H]1CCCC[C@H]1[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000042606719 176085532 /nfs/dbraw/zinc/08/55/32/176085532.db2.gz NWYUYCAJYRMMJT-CHWSQXEVSA-N 2 2 240.391 2.005 10 0 BEAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cccs2)C1 ZINC000022213924 176103689 /nfs/dbraw/zinc/10/36/89/176103689.db2.gz CIMDKKWFQPJLLL-MNOVXSKESA-N 2 2 224.373 2.480 10 0 BEAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2cccs2)C1 ZINC000022213924 176103690 /nfs/dbraw/zinc/10/36/90/176103690.db2.gz CIMDKKWFQPJLLL-MNOVXSKESA-N 2 2 224.373 2.480 10 0 BEAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037910243 176110257 /nfs/dbraw/zinc/11/02/57/176110257.db2.gz FNCNCTBWXRXKDH-RISCZKNCSA-N 2 2 246.354 2.106 10 0 BEAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037910243 176110258 /nfs/dbraw/zinc/11/02/58/176110258.db2.gz FNCNCTBWXRXKDH-RISCZKNCSA-N 2 2 246.354 2.106 10 0 BEAELP C[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+](C)Cc2ccccn2)C1 ZINC000036777410 176208547 /nfs/dbraw/zinc/20/85/47/176208547.db2.gz AHZPUMWMZYAHIR-MRVWCRGKSA-N 2 2 233.359 2.029 10 0 BEAELP C[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+](C)Cc2ccccn2)C1 ZINC000036777410 176208549 /nfs/dbraw/zinc/20/85/49/176208549.db2.gz AHZPUMWMZYAHIR-MRVWCRGKSA-N 2 2 233.359 2.029 10 0 BEAELP C[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+](C)Cc2cccnc2)C1 ZINC000036771149 176208712 /nfs/dbraw/zinc/20/87/12/176208712.db2.gz CKBBWFSSXCPBRV-MRVWCRGKSA-N 2 2 233.359 2.029 10 0 BEAELP C[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+](C)Cc2cccnc2)C1 ZINC000036771149 176208714 /nfs/dbraw/zinc/20/87/14/176208714.db2.gz CKBBWFSSXCPBRV-MRVWCRGKSA-N 2 2 233.359 2.029 10 0 BEAELP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)Cc2ccncc2)C1 ZINC000036775984 176229414 /nfs/dbraw/zinc/22/94/14/176229414.db2.gz FINJLFZPDXWFPH-KWCYVHTRSA-N 2 2 233.359 2.029 10 0 BEAELP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)Cc2ccncc2)C1 ZINC000036775984 176229416 /nfs/dbraw/zinc/22/94/16/176229416.db2.gz FINJLFZPDXWFPH-KWCYVHTRSA-N 2 2 233.359 2.029 10 0 BEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000358091776 176274978 /nfs/dbraw/zinc/27/49/78/176274978.db2.gz VWIROWHZCDCPTK-BNOWGMLFSA-N 2 2 246.354 2.050 10 0 BEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000358091776 176274980 /nfs/dbraw/zinc/27/49/80/176274980.db2.gz VWIROWHZCDCPTK-BNOWGMLFSA-N 2 2 246.354 2.050 10 0 BEAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCCCCC2)[C@H](C)CO1 ZINC000035783558 176280280 /nfs/dbraw/zinc/28/02/80/176280280.db2.gz WCTJIZGYDDJKOW-CHWSQXEVSA-N 2 2 240.391 2.147 10 0 BEAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCCCCC2)[C@H](C)CO1 ZINC000035783558 176280281 /nfs/dbraw/zinc/28/02/81/176280281.db2.gz WCTJIZGYDDJKOW-CHWSQXEVSA-N 2 2 240.391 2.147 10 0 BEAELP C[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037910244 177111537 /nfs/dbraw/zinc/11/15/37/177111537.db2.gz FNCNCTBWXRXKDH-FZMZJTMJSA-N 2 2 246.354 2.106 10 0 BEAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037910244 177111539 /nfs/dbraw/zinc/11/15/39/177111539.db2.gz FNCNCTBWXRXKDH-FZMZJTMJSA-N 2 2 246.354 2.106 10 0 BEAELP C[C@H]1CC[N@H+](CCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000224843086 177161354 /nfs/dbraw/zinc/16/13/54/177161354.db2.gz CVPLDBJXRUJHOR-UONOGXRCSA-N 2 2 248.370 2.125 10 0 BEAELP C[C@H]1CC[N@@H+](CCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000224843086 177161356 /nfs/dbraw/zinc/16/13/56/177161356.db2.gz CVPLDBJXRUJHOR-UONOGXRCSA-N 2 2 248.370 2.125 10 0 BEAELP C[C@@H](c1ccco1)[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000049662008 177169719 /nfs/dbraw/zinc/16/97/19/177169719.db2.gz AMTVYXOWAUFFOP-QWRGUYRKSA-N 2 2 208.305 2.024 10 0 BEAELP C[C@@H](c1ccco1)[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000049662008 177169720 /nfs/dbraw/zinc/16/97/20/177169720.db2.gz AMTVYXOWAUFFOP-QWRGUYRKSA-N 2 2 208.305 2.024 10 0 BEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000019430727 177276584 /nfs/dbraw/zinc/27/65/84/177276584.db2.gz STCRXWMGPHTPHX-YIYPIFLZSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000019430727 177276585 /nfs/dbraw/zinc/27/65/85/177276585.db2.gz STCRXWMGPHTPHX-YIYPIFLZSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@H]1C[NH2+]CC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000049660819 177282642 /nfs/dbraw/zinc/28/26/42/177282642.db2.gz LZAMYGBFPWPSPJ-AXQFOSQISA-N 2 2 248.414 2.497 10 0 BEAELP C[C@H]1C[NH2+]CC[N@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000049660819 177282643 /nfs/dbraw/zinc/28/26/43/177282643.db2.gz LZAMYGBFPWPSPJ-AXQFOSQISA-N 2 2 248.414 2.497 10 0 BEAELP C[C@H]1C[NH2+]CC[N@@H+](C2CCCCCC2)C1 ZINC000049661873 177282992 /nfs/dbraw/zinc/28/29/92/177282992.db2.gz CGPDYGZXPLLVNW-LBPRGKRZSA-N 2 2 210.365 2.251 10 0 BEAELP C[C@H]1C[NH2+]CC[N@H+](C2CCCCCC2)C1 ZINC000049661873 177282994 /nfs/dbraw/zinc/28/29/94/177282994.db2.gz CGPDYGZXPLLVNW-LBPRGKRZSA-N 2 2 210.365 2.251 10 0 BEAELP Cc1csc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000400561885 226346299 /nfs/dbraw/zinc/34/62/99/226346299.db2.gz HYNXUHWOZDECCA-GARJFASQSA-N 2 2 239.388 2.100 10 0 BEAELP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)o1 ZINC000400619294 226348021 /nfs/dbraw/zinc/34/80/21/226348021.db2.gz JEAMNIWRQNKVPL-WOPDTQHZSA-N 2 2 222.332 2.379 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000396695911 323654392 /nfs/dbraw/zinc/65/43/92/323654392.db2.gz MFKPINFBKJWIKF-CYZMBNFOSA-N 2 2 234.343 2.387 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000396695914 323654499 /nfs/dbraw/zinc/65/44/99/323654499.db2.gz MFKPINFBKJWIKF-WCFLWFBJSA-N 2 2 234.343 2.387 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000396695912 323654656 /nfs/dbraw/zinc/65/46/56/323654656.db2.gz MFKPINFBKJWIKF-DRZSPHRISA-N 2 2 234.343 2.387 10 0 BEAELP CC[C@@H](C)c1[nH+]c2n(c1C[NH3+])CCCC2 ZINC000536956362 323967137 /nfs/dbraw/zinc/96/71/37/323967137.db2.gz ZYMYDYPXNOHBOB-SECBINFHSA-N 2 2 207.321 2.192 10 0 BEAELP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1C1CC1 ZINC000310252922 488184100 /nfs/dbraw/zinc/18/41/00/488184100.db2.gz DXUBXKTZFPIPTI-ABAIWWIYSA-N 2 2 230.355 2.486 10 0 BEAELP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1C1CC1 ZINC000310252922 488184104 /nfs/dbraw/zinc/18/41/04/488184104.db2.gz DXUBXKTZFPIPTI-ABAIWWIYSA-N 2 2 230.355 2.486 10 0 BEAELP Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000128023767 490567947 /nfs/dbraw/zinc/56/79/47/490567947.db2.gz IMIONTBNBXLXGC-DZGCQCFKSA-N 2 2 245.370 2.106 10 0 BEAELP Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000128023767 490567950 /nfs/dbraw/zinc/56/79/50/490567950.db2.gz IMIONTBNBXLXGC-DZGCQCFKSA-N 2 2 245.370 2.106 10 0 BEAELP CC[N@@H+]1CCC[C@@H](Nc2nc(C)[nH+]c(C)c2C)C1 ZINC000177816876 535540779 /nfs/dbraw/zinc/54/07/79/535540779.db2.gz TZHUPOIUUVMIRC-CYBMUJFWSA-N 2 2 248.374 2.298 10 0 BEAELP CC[N@H+]1CCC[C@@H](Nc2nc(C)[nH+]c(C)c2C)C1 ZINC000177816876 535540782 /nfs/dbraw/zinc/54/07/82/535540782.db2.gz TZHUPOIUUVMIRC-CYBMUJFWSA-N 2 2 248.374 2.298 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000226615554 535582018 /nfs/dbraw/zinc/58/20/18/535582018.db2.gz JELFVAGICDKGQI-KGLIPLIRSA-N 2 2 222.376 2.417 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000226615554 535582024 /nfs/dbraw/zinc/58/20/24/535582024.db2.gz JELFVAGICDKGQI-KGLIPLIRSA-N 2 2 222.376 2.417 10 0 BEAELP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538324 536362428 /nfs/dbraw/zinc/36/24/28/536362428.db2.gz ZQYWUYRWQXWURQ-VXGBXAGGSA-N 2 2 246.345 2.496 10 0 BEAELP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538324 536362430 /nfs/dbraw/zinc/36/24/30/536362430.db2.gz ZQYWUYRWQXWURQ-VXGBXAGGSA-N 2 2 246.345 2.496 10 0 BEAELP CC[NH+]1CCC2(CC1)[NH2+]CCc1sccc12 ZINC000397203017 583099023 /nfs/dbraw/zinc/09/90/23/583099023.db2.gz XMEHLIWENVYNDO-UHFFFAOYSA-N 2 2 236.384 2.205 10 0 BEAELP CC[C@@H](C)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757126936 582502254 /nfs/dbraw/zinc/50/22/54/582502254.db2.gz HTGBPBRGLLGVKY-OCCSQVGLSA-N 2 2 222.376 2.345 10 0 BEAELP CC[C@@H](C)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757126936 582502255 /nfs/dbraw/zinc/50/22/55/582502255.db2.gz HTGBPBRGLLGVKY-OCCSQVGLSA-N 2 2 222.376 2.345 10 0 BEAELP C[C@@H]1C[NH2+][C@@H](c2cccc3cc[nH]c32)[C@H]([NH3+])C1 ZINC000757220316 582563944 /nfs/dbraw/zinc/56/39/44/582563944.db2.gz YOXMHWNDIJVXBE-BHYNMZESSA-N 2 2 229.327 2.166 10 0 BEAELP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CCc1sccc12 ZINC000397160216 583097671 /nfs/dbraw/zinc/09/76/71/583097671.db2.gz SNLFGSZIDZSJGV-ZDUSSCGKSA-N 2 2 236.384 2.205 10 0 BEAELP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CCc1sccc12 ZINC000397160216 583097672 /nfs/dbraw/zinc/09/76/72/583097672.db2.gz SNLFGSZIDZSJGV-ZDUSSCGKSA-N 2 2 236.384 2.205 10 0 BEAELP C[C@@H]1CC[C@@H]([NH3+])[C@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757212974 586439687 /nfs/dbraw/zinc/43/96/87/586439687.db2.gz KPHPZTYJGWHIOV-IUPBHXKESA-N 2 2 229.327 2.308 10 0 BEAELP CC(=O)c1ccc([C@@H]2[NH2+][C@H](C)CC[C@H]2[NH3+])cc1 ZINC000757215923 586440826 /nfs/dbraw/zinc/44/08/26/586440826.db2.gz OCKHJBZSFFHYBN-FZQKWOKYSA-N 2 2 232.327 2.030 10 0 BEAELP C[C@@H]1CC[NH2+][C@@H](c2cccc3cc[nH]c32)[C@H]1[NH3+] ZINC000757219384 586442017 /nfs/dbraw/zinc/44/20/17/586442017.db2.gz WYNNQICSHAZCHA-LQJRIPTKSA-N 2 2 229.327 2.166 10 0 BEAELP [NH3+][C@@H]1CCC[NH2+][C@@H]1c1cscc1C(F)F ZINC000757230015 586442402 /nfs/dbraw/zinc/44/24/02/586442402.db2.gz FTFHRDYORXMPER-RKDXNWHRSA-N 2 2 232.299 2.438 10 0 BEAELP c1ccc2[nH+]c(NC[C@H]3CC[NH2+]C3)ccc2c1 ZINC000133831535 591861879 /nfs/dbraw/zinc/86/18/79/591861879.db2.gz LVVMAPNGAXSGFU-NSHDSACASA-N 2 2 227.311 2.256 10 0 BEAELP C[NH+](C)CC1([NH2+]CCc2ccccc2)CCC1 ZINC000337215928 635446554 /nfs/dbraw/zinc/44/65/54/635446554.db2.gz HGLUIPVAYXTYBJ-UHFFFAOYSA-N 2 2 232.371 2.303 10 0 BEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccccc32)CC[N@@H+]1C ZINC000156584187 640466930 /nfs/dbraw/zinc/46/69/30/640466930.db2.gz MORVBRDGKFHSKX-YRGRVCCFSA-N 2 2 246.354 2.192 10 0 BEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccccc32)CC[N@H+]1C ZINC000156584187 640466937 /nfs/dbraw/zinc/46/69/37/640466937.db2.gz MORVBRDGKFHSKX-YRGRVCCFSA-N 2 2 246.354 2.192 10 0 BEAELP CC[NH+](CC)CCC[NH2+]Cc1ccoc1 ZINC000062103265 641020033 /nfs/dbraw/zinc/02/00/33/641020033.db2.gz PWSWZMVLLBKTOE-UHFFFAOYSA-N 2 2 210.321 2.101 10 0 BEAELP CCC[C@@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709754603 712217717 /nfs/dbraw/zinc/21/77/17/712217717.db2.gz KMNUBQMZVOKQIA-SECBINFHSA-N 2 2 239.388 2.149 10 0 BEAELP CCC[C@@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709754603 712217718 /nfs/dbraw/zinc/21/77/18/712217718.db2.gz KMNUBQMZVOKQIA-SECBINFHSA-N 2 2 239.388 2.149 10 0 BEAELP C[N@H+](Cc1cccnc1)C1(C[NH3+])CCCCC1 ZINC000036770997 712494970 /nfs/dbraw/zinc/49/49/70/712494970.db2.gz ZHHWVXZXMNUKJC-UHFFFAOYSA-N 2 2 233.359 2.175 10 0 BEAELP C[N@@H+](Cc1cccnc1)C1(C[NH3+])CCCCC1 ZINC000036770997 712494971 /nfs/dbraw/zinc/49/49/71/712494971.db2.gz ZHHWVXZXMNUKJC-UHFFFAOYSA-N 2 2 233.359 2.175 10 0 BEAELP CC(C)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717155510 712638162 /nfs/dbraw/zinc/63/81/62/712638162.db2.gz OJZWZKNUIRENTM-IVZWLZJFSA-N 2 2 238.297 2.242 10 0 BEAELP CC(C)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717155510 712638164 /nfs/dbraw/zinc/63/81/64/712638164.db2.gz OJZWZKNUIRENTM-IVZWLZJFSA-N 2 2 238.297 2.242 10 0 BEAELP C[C@@H](C[NH2+]CCCC(F)(F)F)[N@H+](C)C1CC1 ZINC000218680594 972030230 /nfs/dbraw/zinc/03/02/30/972030230.db2.gz PKLZNFCGYROFSL-VIFPVBQESA-N 2 2 238.297 2.401 10 0 BEAELP C[C@@H](C[NH2+]CCCC(F)(F)F)[N@@H+](C)C1CC1 ZINC000218680594 972030241 /nfs/dbraw/zinc/03/02/41/972030241.db2.gz PKLZNFCGYROFSL-VIFPVBQESA-N 2 2 238.297 2.401 10 0 BEAELP Fc1ccc(CC[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000049327605 1171690566 /nfs/dbraw/zinc/69/05/66/1171690566.db2.gz GVLIVVSEOYQRCC-UHFFFAOYSA-N 2 2 247.317 2.245 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000378693993 346809274 /nfs/dbraw/zinc/80/92/74/346809274.db2.gz KDASVDATUQJTTP-OIMNJJJWSA-N 2 2 222.376 2.247 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000378693993 346809278 /nfs/dbraw/zinc/80/92/78/346809278.db2.gz KDASVDATUQJTTP-OIMNJJJWSA-N 2 2 222.376 2.247 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000378693992 346809502 /nfs/dbraw/zinc/80/95/02/346809502.db2.gz KDASVDATUQJTTP-HBJVGIJOSA-N 2 2 222.376 2.247 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000378693992 346809504 /nfs/dbraw/zinc/80/95/04/346809504.db2.gz KDASVDATUQJTTP-HBJVGIJOSA-N 2 2 222.376 2.247 10 0 BEAELP Cc1cc(C[NH2+]C2CC2)ccc1-n1cc[nH+]c1 ZINC000050562417 178018799 /nfs/dbraw/zinc/01/87/99/178018799.db2.gz VGJMTLYYFHBURT-UHFFFAOYSA-N 2 2 227.311 2.433 10 0 BEAELP C[C@H](c1ccsc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000307570168 398176041 /nfs/dbraw/zinc/17/60/41/398176041.db2.gz YYQGSGGXIDHRDJ-YWVKMMECSA-N 2 2 210.346 2.231 10 0 BEAELP C[C@H](c1ccsc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000307570168 398176045 /nfs/dbraw/zinc/17/60/45/398176045.db2.gz YYQGSGGXIDHRDJ-YWVKMMECSA-N 2 2 210.346 2.231 10 0 BEAELP Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000216221289 178122107 /nfs/dbraw/zinc/12/21/07/178122107.db2.gz QFOWJNVDZVOIPK-RYUDHWBXSA-N 2 2 248.374 2.082 10 0 BEAELP Cc1cc([NH2+]CCCn2cc[nH+]c2)ccc1N ZINC000035277848 178159384 /nfs/dbraw/zinc/15/93/84/178159384.db2.gz CDUWBJWAFZKYOF-UHFFFAOYSA-N 2 2 230.315 2.276 10 0 BEAELP Cc1cc(NC[C@@H]2CCC[N@H+]2C)nc(C2CC2)[nH+]1 ZINC000116260329 178167646 /nfs/dbraw/zinc/16/76/46/178167646.db2.gz QXGZULOTCXDRCA-LBPRGKRZSA-N 2 2 246.358 2.169 10 0 BEAELP Cc1cc(NC[C@@H]2CCC[N@@H+]2C)nc(C2CC2)[nH+]1 ZINC000116260329 178167647 /nfs/dbraw/zinc/16/76/47/178167647.db2.gz QXGZULOTCXDRCA-LBPRGKRZSA-N 2 2 246.358 2.169 10 0 BEAELP Cc1cc([C@H](C[NH3+])[N@@H+]2CC[C@H](C)C2)ccc1F ZINC000050546172 178260564 /nfs/dbraw/zinc/26/05/64/178260564.db2.gz QBFSNXJOCXZSFX-HZMBPMFUSA-N 2 2 236.334 2.476 10 0 BEAELP Cc1cc([C@H](C[NH3+])[N@H+]2CC[C@H](C)C2)ccc1F ZINC000050546172 178260566 /nfs/dbraw/zinc/26/05/66/178260566.db2.gz QBFSNXJOCXZSFX-HZMBPMFUSA-N 2 2 236.334 2.476 10 0 BEAELP CCC(CC)C[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000019946342 168364409 /nfs/dbraw/zinc/36/44/09/168364409.db2.gz ANBLRKBLQOZFFH-ZDUSSCGKSA-N 2 2 210.365 2.106 10 0 BEAELP CCC(CC)C[NH2+]C1C[NH+]2CCC1CC2 ZINC000019946339 168363142 /nfs/dbraw/zinc/36/31/42/168363142.db2.gz ANBLRKBLQOZFFH-CYBMUJFWSA-N 2 2 210.365 2.106 10 0 BEAELP [NH3+][C@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381590591 398265402 /nfs/dbraw/zinc/26/54/02/398265402.db2.gz LITLLXCFUNTQPF-MNOVXSKESA-N 2 2 232.318 2.235 10 0 BEAELP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381590591 398265405 /nfs/dbraw/zinc/26/54/05/398265405.db2.gz LITLLXCFUNTQPF-MNOVXSKESA-N 2 2 232.318 2.235 10 0 BEAELP CC(C)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177101017 538951231 /nfs/dbraw/zinc/95/12/31/538951231.db2.gz ASXDNJZSWFIAJO-LBPRGKRZSA-N 2 2 207.321 2.004 10 0 BEAELP CC(C)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177101017 538951232 /nfs/dbraw/zinc/95/12/32/538951232.db2.gz ASXDNJZSWFIAJO-LBPRGKRZSA-N 2 2 207.321 2.004 10 0 BEAELP CCC(CC)[N@H+](CCOC)[C@](C)(C[NH3+])C(C)C ZINC000042681767 168375230 /nfs/dbraw/zinc/37/52/30/168375230.db2.gz GHTHABASPPICER-CQSZACIVSA-N 2 2 244.423 2.497 10 0 BEAELP CCC(CC)[N@@H+](CCOC)[C@](C)(C[NH3+])C(C)C ZINC000042681767 168375232 /nfs/dbraw/zinc/37/52/32/168375232.db2.gz GHTHABASPPICER-CQSZACIVSA-N 2 2 244.423 2.497 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000380010948 538983861 /nfs/dbraw/zinc/98/38/61/538983861.db2.gz RNXLISUALQCPFM-FVCCEPFGSA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000380010948 538983862 /nfs/dbraw/zinc/98/38/62/538983862.db2.gz RNXLISUALQCPFM-FVCCEPFGSA-N 2 2 210.365 2.105 10 0 BEAELP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000381729876 539006594 /nfs/dbraw/zinc/00/65/94/539006594.db2.gz NGXXKIUVMZKPFO-AGIUHOORSA-N 2 2 228.355 2.199 10 0 BEAELP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000381729876 539006595 /nfs/dbraw/zinc/00/65/95/539006595.db2.gz NGXXKIUVMZKPFO-AGIUHOORSA-N 2 2 228.355 2.199 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C(C)C)C1 ZINC000390433700 539021585 /nfs/dbraw/zinc/02/15/85/539021585.db2.gz QXOGSGYFGZDBJM-IHRRRGAJSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C(C)C)C1 ZINC000390433700 539021586 /nfs/dbraw/zinc/02/15/86/539021586.db2.gz QXOGSGYFGZDBJM-IHRRRGAJSA-N 2 2 224.392 2.495 10 0 BEAELP CCOc1ccc([C@@H](C[NH3+])[NH+](CC)CC)cc1 ZINC000038809136 342878350 /nfs/dbraw/zinc/87/83/50/342878350.db2.gz QBQSTCHOUOHXHS-CQSZACIVSA-N 2 2 236.359 2.427 10 0 BEAELP CCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000233250872 342900826 /nfs/dbraw/zinc/90/08/26/342900826.db2.gz QYZKQCOUQOGJSP-DOMZBBRYSA-N 2 2 248.370 2.254 10 0 BEAELP CCCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000233250872 342900827 /nfs/dbraw/zinc/90/08/27/342900827.db2.gz QYZKQCOUQOGJSP-DOMZBBRYSA-N 2 2 248.370 2.254 10 0 BEAELP CCCOc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000233250881 342900839 /nfs/dbraw/zinc/90/08/39/342900839.db2.gz QYZKQCOUQOGJSP-WFASDCNBSA-N 2 2 248.370 2.254 10 0 BEAELP CCCOc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000233250881 342900840 /nfs/dbraw/zinc/90/08/40/342900840.db2.gz QYZKQCOUQOGJSP-WFASDCNBSA-N 2 2 248.370 2.254 10 0 BEAELP [NH3+][C@H](C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000034542608 346911242 /nfs/dbraw/zinc/91/12/42/346911242.db2.gz LAFZPOPTZGZPHA-OAHLLOKOSA-N 2 2 226.323 2.476 10 0 BEAELP CC[NH+]1CCC(c2c[nH]c3ccc(N)[nH+]c32)CC1 ZINC000036421685 342995106 /nfs/dbraw/zinc/99/51/06/342995106.db2.gz ZKMWKEXDFNWIHM-UHFFFAOYSA-N 2 2 244.342 2.344 10 0 BEAELP CCOc1cccc(C[NH2+]CCc2c[nH]c[nH+]2)c1 ZINC000045946276 343013403 /nfs/dbraw/zinc/01/34/03/343013403.db2.gz ZCNWPAXXTUYHIG-UHFFFAOYSA-N 2 2 245.326 2.141 10 0 BEAELP CCOc1cccc(C[NH2+]CCc2c[nH+]c[nH]2)c1 ZINC000045946276 343013405 /nfs/dbraw/zinc/01/34/05/343013405.db2.gz ZCNWPAXXTUYHIG-UHFFFAOYSA-N 2 2 245.326 2.141 10 0 BEAELP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000400697999 529666641 /nfs/dbraw/zinc/66/66/41/529666641.db2.gz JNOGJQOYNDEYKS-MXWKQRLJSA-N 2 2 239.388 2.182 10 0 BEAELP Cc1c(C)c(C)c([C@@H]([NH3+])C[NH3+])c(C)c1C ZINC000072200686 343068860 /nfs/dbraw/zinc/06/88/60/343068860.db2.gz XBJRSHAHPCNTEJ-LBPRGKRZSA-N 2 2 206.333 2.187 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1ccc(C(F)(F)F)c(Cl)c1 ZINC000072201408 343069513 /nfs/dbraw/zinc/06/95/13/343069513.db2.gz HXFSPKLBKCXSMF-QMMMGPOBSA-N 2 2 238.640 2.317 10 0 BEAELP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000377995822 136333346 /nfs/dbraw/zinc/33/33/46/136333346.db2.gz HDQIZQROLAKRCV-JQWIXIFHSA-N 2 2 219.332 2.149 10 0 BEAELP C[C@@H]1C[C@@]2(CC[N@@H+]1C)[NH2+]CCc1ccsc12 ZINC000712553354 537792919 /nfs/dbraw/zinc/79/29/19/537792919.db2.gz RCSQXFGBYHOGMZ-ZWNOBZJWSA-N 2 2 236.384 2.203 10 0 BEAELP C[C@@H]1C[C@@]2(CC[N@H+]1C)[NH2+]CCc1ccsc12 ZINC000712553354 537792922 /nfs/dbraw/zinc/79/29/22/537792922.db2.gz RCSQXFGBYHOGMZ-ZWNOBZJWSA-N 2 2 236.384 2.203 10 0 BEAELP Cc1cccc(N[C@H](C[NH3+])CC(C)C)[nH+]1 ZINC000082593091 133503108 /nfs/dbraw/zinc/50/31/08/133503108.db2.gz SVCUFCOONUJWEF-NSHDSACASA-N 2 2 207.321 2.175 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@@H+]1CCSC(C)(C)C1 ZINC000133340233 344315562 /nfs/dbraw/zinc/31/55/62/344315562.db2.gz FSKZPDRTIOMZIM-NSHDSACASA-N 2 2 230.421 2.187 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@H+]1CCSC(C)(C)C1 ZINC000133340233 344315564 /nfs/dbraw/zinc/31/55/64/344315564.db2.gz FSKZPDRTIOMZIM-NSHDSACASA-N 2 2 230.421 2.187 10 0 BEAELP C[NH+](C)CC[C@@]1(C)[NH2+]CCc2sccc21 ZINC000715208730 537867888 /nfs/dbraw/zinc/86/78/88/537867888.db2.gz POAVOHYAHGOMQY-GFCCVEGCSA-N 2 2 224.373 2.061 10 0 BEAELP C[C@H]([NH2+][C@H]1CCCC[C@H]1[NH3+])c1ccccn1 ZINC000248021959 345015253 /nfs/dbraw/zinc/01/52/53/345015253.db2.gz JCWKVGUESLPLOG-LOWVWBTDSA-N 2 2 219.332 2.002 10 0 BEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])n2cc[nH+]c2)cc1 ZINC000042910088 178917524 /nfs/dbraw/zinc/91/75/24/178917524.db2.gz VVMXISKENUNXJZ-YPMHNXCESA-N 2 2 215.300 2.128 10 0 BEAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000074010480 537912736 /nfs/dbraw/zinc/91/27/36/537912736.db2.gz YDXVZAXBJZIPGH-VXGBXAGGSA-N 2 2 224.735 2.434 10 0 BEAELP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000074010480 537912742 /nfs/dbraw/zinc/91/27/42/537912742.db2.gz YDXVZAXBJZIPGH-VXGBXAGGSA-N 2 2 224.735 2.434 10 0 BEAELP CCCC(CCC)[NH2+]CC[N@H+](C)CC ZINC000054109743 1172087759 /nfs/dbraw/zinc/08/77/59/1172087759.db2.gz PIOUCCIHKFUPNJ-UHFFFAOYSA-N 2 2 200.370 2.497 10 0 BEAELP CCCC(CCC)[NH2+]CC[N@@H+](C)CC ZINC000054109743 1172087763 /nfs/dbraw/zinc/08/77/63/1172087763.db2.gz PIOUCCIHKFUPNJ-UHFFFAOYSA-N 2 2 200.370 2.497 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+]2CC[C@H](C)C2)c1 ZINC000042278862 179185057 /nfs/dbraw/zinc/18/50/57/179185057.db2.gz GYUBDCLMWFRYSC-GXTWGEPZSA-N 2 2 218.344 2.337 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@H+]2CC[C@H](C)C2)c1 ZINC000042278862 179185059 /nfs/dbraw/zinc/18/50/59/179185059.db2.gz GYUBDCLMWFRYSC-GXTWGEPZSA-N 2 2 218.344 2.337 10 0 BEAELP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000250491724 362806008 /nfs/dbraw/zinc/80/60/08/362806008.db2.gz HGMGTWFYVBZVMA-GHMZBOCLSA-N 2 2 210.346 2.231 10 0 BEAELP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000250491724 362806012 /nfs/dbraw/zinc/80/60/12/362806012.db2.gz HGMGTWFYVBZVMA-GHMZBOCLSA-N 2 2 210.346 2.231 10 0 BEAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+]2CCCOCC2)c1 ZINC000061914206 179203516 /nfs/dbraw/zinc/20/35/16/179203516.db2.gz UPOGXHKVUKWUOM-ZFWWWQNUSA-N 2 2 248.370 2.106 10 0 BEAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+]2CCCOCC2)c1 ZINC000061914206 179203518 /nfs/dbraw/zinc/20/35/18/179203518.db2.gz UPOGXHKVUKWUOM-ZFWWWQNUSA-N 2 2 248.370 2.106 10 0 BEAELP Cc1ccccc1OCC[C@H](C[NH3+])[NH+]1CCCC1 ZINC000019664418 179312076 /nfs/dbraw/zinc/31/20/76/179312076.db2.gz HESMQKDZEOAPEE-CQSZACIVSA-N 2 2 248.370 2.187 10 0 BEAELP Cc1ccccc1[C@H]([NH3+])CC[N@@H+]1CCO[C@H](C)C1 ZINC000054015961 179343346 /nfs/dbraw/zinc/34/33/46/179343346.db2.gz XNOANVPANAZRBG-UKRRQHHQSA-N 2 2 248.370 2.106 10 0 BEAELP Cc1ccccc1[C@H]([NH3+])CC[N@H+]1CCO[C@H](C)C1 ZINC000054015961 179343348 /nfs/dbraw/zinc/34/33/48/179343348.db2.gz XNOANVPANAZRBG-UKRRQHHQSA-N 2 2 248.370 2.106 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CSC[C@H]1C ZINC000304555651 187388401 /nfs/dbraw/zinc/38/84/01/187388401.db2.gz VCTTVTUUBPDLPU-JHJVBQTASA-N 2 2 244.448 2.304 10 0 BEAELP CC[C@H](C)[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 ZINC000616578433 349124491 /nfs/dbraw/zinc/12/44/91/349124491.db2.gz OIBAFDPABFARDA-CMPLNLGQSA-N 2 2 208.349 2.001 10 0 BEAELP CC[C@H](C)c1[nH+]c2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253377 538037365 /nfs/dbraw/zinc/03/73/65/538037365.db2.gz JRVUMDZGUVFQLS-DTWKUNHWSA-N 2 2 207.321 2.270 10 0 BEAELP Cc1[nH+]c2ccccc2n1[C@H](C)CC[NH3+] ZINC000041042674 180103352 /nfs/dbraw/zinc/10/33/52/180103352.db2.gz IDFNXEPEJNCTLG-SECBINFHSA-N 2 2 203.289 2.255 10 0 BEAELP Cc1[nH+]cn(-c2ncccc2C[NH2+]C2CC2)c1C ZINC000051928428 180285018 /nfs/dbraw/zinc/28/50/18/180285018.db2.gz HHTUWMRNNFEEHJ-UHFFFAOYSA-N 2 2 242.326 2.136 10 0 BEAELP Cc1ncsc1C[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235345965 180317097 /nfs/dbraw/zinc/31/70/97/180317097.db2.gz SFDYCMUUPNBXLS-MWLCHTKSSA-N 2 2 239.388 2.011 10 0 BEAELP Cc1ncsc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235345965 180317100 /nfs/dbraw/zinc/31/71/00/180317100.db2.gz SFDYCMUUPNBXLS-MWLCHTKSSA-N 2 2 239.388 2.011 10 0 BEAELP CC(C)(C)[N@@H+]1CCO[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616594288 350593221 /nfs/dbraw/zinc/59/32/21/350593221.db2.gz DYVPMGHQNSKSTG-GFCCVEGCSA-N 2 2 249.358 2.056 10 0 BEAELP CC(C)(C)[N@H+]1CCO[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616594288 350593223 /nfs/dbraw/zinc/59/32/23/350593223.db2.gz DYVPMGHQNSKSTG-GFCCVEGCSA-N 2 2 249.358 2.056 10 0 BEAELP CC(C)[N@@H+]1CCC[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616602542 350791829 /nfs/dbraw/zinc/79/18/29/350791829.db2.gz ZIZBAWYBBNIJRK-GFCCVEGCSA-N 2 2 233.359 2.472 10 0 BEAELP CC(C)[N@H+]1CCC[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616602542 350791832 /nfs/dbraw/zinc/79/18/32/350791832.db2.gz ZIZBAWYBBNIJRK-GFCCVEGCSA-N 2 2 233.359 2.472 10 0 BEAELP CC(C)[N@@H+]1CCCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616604287 350792490 /nfs/dbraw/zinc/79/24/90/350792490.db2.gz CMTJAMSJRYYZLS-CYBMUJFWSA-N 2 2 233.359 2.472 10 0 BEAELP CC(C)[N@H+]1CCCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616604287 350792492 /nfs/dbraw/zinc/79/24/92/350792492.db2.gz CMTJAMSJRYYZLS-CYBMUJFWSA-N 2 2 233.359 2.472 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccc2cccnc2c1 ZINC000616608581 350805680 /nfs/dbraw/zinc/80/56/80/350805680.db2.gz YENMGUKRYUXWPM-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H]1c1ccc2cccnc2c1 ZINC000616608581 350805681 /nfs/dbraw/zinc/80/56/81/350805681.db2.gz YENMGUKRYUXWPM-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP CNc1ccccc1[C@@H]1CCCC[N@@H+]1CC[NH3+] ZINC000616616670 350856752 /nfs/dbraw/zinc/85/67/52/350856752.db2.gz SFBGPLUJBGGXGF-AWEZNQCLSA-N 2 2 233.359 2.214 10 0 BEAELP CNc1ccccc1[C@@H]1CCCC[N@H+]1CC[NH3+] ZINC000616616670 350856755 /nfs/dbraw/zinc/85/67/55/350856755.db2.gz SFBGPLUJBGGXGF-AWEZNQCLSA-N 2 2 233.359 2.214 10 0 BEAELP CCC(=[NH2+])N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000306737902 350909967 /nfs/dbraw/zinc/90/99/67/350909967.db2.gz ZRSYDHOGLXPYCB-GFCCVEGCSA-N 2 2 233.359 2.484 10 0 BEAELP CCC(=[NH2+])N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000306737902 350909971 /nfs/dbraw/zinc/90/99/71/350909971.db2.gz ZRSYDHOGLXPYCB-GFCCVEGCSA-N 2 2 233.359 2.484 10 0 BEAELP CC(C)(C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000616619523 350927767 /nfs/dbraw/zinc/92/77/67/350927767.db2.gz LAMNJKJBXAMKDT-UHFFFAOYSA-N 2 2 207.321 2.388 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000616619803 350928310 /nfs/dbraw/zinc/92/83/10/350928310.db2.gz AUNUYZFWIJHQPQ-LBPRGKRZSA-N 2 2 238.762 2.478 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000616619803 350928313 /nfs/dbraw/zinc/92/83/13/350928313.db2.gz AUNUYZFWIJHQPQ-LBPRGKRZSA-N 2 2 238.762 2.478 10 0 BEAELP CC(C)(C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616617994 350881014 /nfs/dbraw/zinc/88/10/14/350881014.db2.gz OMAXTDMEAZXGES-JTQLQIEISA-N 2 2 207.321 2.388 10 0 BEAELP CC(C)(C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616617994 350881018 /nfs/dbraw/zinc/88/10/18/350881018.db2.gz OMAXTDMEAZXGES-JTQLQIEISA-N 2 2 207.321 2.388 10 0 BEAELP CC[C@H](C[NH2+]C)[N@H+](C)Cc1ccccc1 ZINC000052417400 350992006 /nfs/dbraw/zinc/99/20/06/350992006.db2.gz INFBCDDQNQEQFL-CYBMUJFWSA-N 2 2 206.333 2.116 10 0 BEAELP CC[C@H](C[NH2+]C)[N@@H+](C)Cc1ccccc1 ZINC000052417400 350992009 /nfs/dbraw/zinc/99/20/09/350992009.db2.gz INFBCDDQNQEQFL-CYBMUJFWSA-N 2 2 206.333 2.116 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cccc2ccncc21 ZINC000616634587 351117847 /nfs/dbraw/zinc/11/78/47/351117847.db2.gz USYWXQVUFMVJQY-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1cccc2ccncc21 ZINC000616634587 351117849 /nfs/dbraw/zinc/11/78/49/351117849.db2.gz USYWXQVUFMVJQY-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP CC[N@@H+]1CCCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616654853 351191978 /nfs/dbraw/zinc/19/19/78/351191978.db2.gz PMLQCSZAEWXGET-GFCCVEGCSA-N 2 2 219.332 2.084 10 0 BEAELP CC[N@H+]1CCCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616654853 351191981 /nfs/dbraw/zinc/19/19/81/351191981.db2.gz PMLQCSZAEWXGET-GFCCVEGCSA-N 2 2 219.332 2.084 10 0 BEAELP CC(C)(C)[N@@H+]1CCO[C@H](Nc2cccc[nH+]2)CC1 ZINC000616665611 351223584 /nfs/dbraw/zinc/22/35/84/351223584.db2.gz OHKSCVHKMYMVTA-ZDUSSCGKSA-N 2 2 249.358 2.340 10 0 BEAELP CC(C)(C)[N@H+]1CCO[C@H](Nc2cccc[nH+]2)CC1 ZINC000616665611 351223585 /nfs/dbraw/zinc/22/35/85/351223585.db2.gz OHKSCVHKMYMVTA-ZDUSSCGKSA-N 2 2 249.358 2.340 10 0 BEAELP CC[C@H]1C[N@H+](C/C(C)=C/Cl)CCC[NH2+]1 ZINC000232014397 351528280 /nfs/dbraw/zinc/52/82/80/351528280.db2.gz WKZPJBXXRPRCBH-HUYFXPKMSA-N 2 2 216.756 2.203 10 0 BEAELP CC[C@H]1C[N@@H+](C/C(C)=C/Cl)CCC[NH2+]1 ZINC000232014397 351528287 /nfs/dbraw/zinc/52/82/87/351528287.db2.gz WKZPJBXXRPRCBH-HUYFXPKMSA-N 2 2 216.756 2.203 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000307727965 353115408 /nfs/dbraw/zinc/11/54/08/353115408.db2.gz GJQFDJZYVCMCTD-GXTWGEPZSA-N 2 2 218.344 2.259 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000307727965 353115409 /nfs/dbraw/zinc/11/54/09/353115409.db2.gz GJQFDJZYVCMCTD-GXTWGEPZSA-N 2 2 218.344 2.259 10 0 BEAELP CC(C)C[C@](C)(C[NH3+])[N@H+](C)Cc1ccccn1 ZINC000036777260 188112838 /nfs/dbraw/zinc/11/28/38/188112838.db2.gz BMYPWAQVQHFAOV-CQSZACIVSA-N 2 2 235.375 2.277 10 0 BEAELP CC(C)C[C@](C)(C[NH3+])[N@@H+](C)Cc1ccccn1 ZINC000036777260 188112840 /nfs/dbraw/zinc/11/28/40/188112840.db2.gz BMYPWAQVQHFAOV-CQSZACIVSA-N 2 2 235.375 2.277 10 0 BEAELP CC[C@H]1C[N@@H+]([C@](C)(C[NH3+])CCC(C)C)CCO1 ZINC000036769513 188112957 /nfs/dbraw/zinc/11/29/57/188112957.db2.gz NEPDTBQXBONADT-KBPBESRZSA-N 2 2 242.407 2.251 10 0 BEAELP CC[C@H]1C[N@H+]([C@](C)(C[NH3+])CCC(C)C)CCO1 ZINC000036769513 188112959 /nfs/dbraw/zinc/11/29/59/188112959.db2.gz NEPDTBQXBONADT-KBPBESRZSA-N 2 2 242.407 2.251 10 0 BEAELP CC(C)[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccccn1 ZINC000042580474 188120294 /nfs/dbraw/zinc/12/02/94/188120294.db2.gz CJXJVMWNLOAHMH-AWEZNQCLSA-N 2 2 233.359 2.202 10 0 BEAELP CC(C)[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccccn1 ZINC000042580474 188120295 /nfs/dbraw/zinc/12/02/95/188120295.db2.gz CJXJVMWNLOAHMH-AWEZNQCLSA-N 2 2 233.359 2.202 10 0 BEAELP CC(C)[N@H+](Cc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000051783540 188156766 /nfs/dbraw/zinc/15/67/66/188156766.db2.gz RVGRWBKNYXEWSW-LLVKDONJSA-N 2 2 224.373 2.320 10 0 BEAELP CC(C)[N@@H+](Cc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000051783540 188156768 /nfs/dbraw/zinc/15/67/68/188156768.db2.gz RVGRWBKNYXEWSW-LLVKDONJSA-N 2 2 224.373 2.320 10 0 BEAELP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)(C)C ZINC000122452381 324048500 /nfs/dbraw/zinc/04/85/00/324048500.db2.gz YYULHHNYSHFILI-SNVBAGLBSA-N 2 2 238.379 2.010 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CC(C)C1 ZINC000231788058 363353918 /nfs/dbraw/zinc/35/39/18/363353918.db2.gz DMZYUHYLIKVDDX-WXRRBKDZSA-N 2 2 212.381 2.351 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000389188445 355779111 /nfs/dbraw/zinc/77/91/11/355779111.db2.gz TYFWBTQULKTCDL-RQJABVFESA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000389188445 355779114 /nfs/dbraw/zinc/77/91/14/355779114.db2.gz TYFWBTQULKTCDL-RQJABVFESA-N 2 2 224.392 2.495 10 0 BEAELP CCC[NH2+]Cc1nc(C[NH+](CC)CC)cs1 ZINC000052378045 538470549 /nfs/dbraw/zinc/47/05/49/538470549.db2.gz QCWDRRAHTGJGCS-UHFFFAOYSA-N 2 2 241.404 2.485 10 0 BEAELP C[C@@H]1CCCC[N@@H+]1CC12CCC(CC1)[NH2+]2 ZINC000675055960 538476831 /nfs/dbraw/zinc/47/68/31/538476831.db2.gz FKMLVQCNBOLLCQ-PNESKVBLSA-N 2 2 208.349 2.145 10 0 BEAELP C[C@@H]1CCCC[N@H+]1CC12CCC(CC1)[NH2+]2 ZINC000675055960 538476833 /nfs/dbraw/zinc/47/68/33/538476833.db2.gz FKMLVQCNBOLLCQ-PNESKVBLSA-N 2 2 208.349 2.145 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000389500953 356694330 /nfs/dbraw/zinc/69/43/30/356694330.db2.gz CATJRNLLKDEWLG-AWEZNQCLSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000389500953 356694335 /nfs/dbraw/zinc/69/43/35/356694335.db2.gz CATJRNLLKDEWLG-AWEZNQCLSA-N 2 2 243.354 2.352 10 0 BEAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000257583702 538737519 /nfs/dbraw/zinc/73/75/19/538737519.db2.gz FHNAWGIPICODMB-NEPJUHHUSA-N 2 2 224.735 2.434 10 0 BEAELP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000257583702 538737524 /nfs/dbraw/zinc/73/75/24/538737524.db2.gz FHNAWGIPICODMB-NEPJUHHUSA-N 2 2 224.735 2.434 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000389540751 356985676 /nfs/dbraw/zinc/98/56/76/356985676.db2.gz KFADBHDOJRRAHR-AGIUHOORSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000389540751 356985678 /nfs/dbraw/zinc/98/56/78/356985678.db2.gz KFADBHDOJRRAHR-AGIUHOORSA-N 2 2 224.392 2.495 10 0 BEAELP CCCO[C@@H]1CCC[N@H+](CC[NH2+]C(C)C)CC1 ZINC000193441841 357925823 /nfs/dbraw/zinc/92/58/23/357925823.db2.gz MRMREQNWCXXMGG-CQSZACIVSA-N 2 2 242.407 2.266 10 0 BEAELP CCCO[C@@H]1CCC[N@@H+](CC[NH2+]C(C)C)CC1 ZINC000193441841 357925825 /nfs/dbraw/zinc/92/58/25/357925825.db2.gz MRMREQNWCXXMGG-CQSZACIVSA-N 2 2 242.407 2.266 10 0 BEAELP CC(C)[NH2+]CC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000193496835 357928976 /nfs/dbraw/zinc/92/89/76/357928976.db2.gz NTVNBSFZCZJXBL-JSGCOSHPSA-N 2 2 248.370 2.139 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000040502208 358237620 /nfs/dbraw/zinc/23/76/20/358237620.db2.gz HMYZKBNUSYNKCH-CYBMUJFWSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000040502208 358237623 /nfs/dbraw/zinc/23/76/23/358237623.db2.gz HMYZKBNUSYNKCH-CYBMUJFWSA-N 2 2 222.376 2.249 10 0 BEAELP C[C@@H](CC[NH3+])Nc1ccc2ccccc2[nH+]1 ZINC000134273354 358785786 /nfs/dbraw/zinc/78/57/86/358785786.db2.gz DOKVKMWJRKWKBK-JTQLQIEISA-N 2 2 215.300 2.384 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@H](C)C2CCC2)[C@@H](C)C1 ZINC000309044905 491143334 /nfs/dbraw/zinc/14/33/34/491143334.db2.gz NTFHGRDLZUIELD-LOWVWBTDSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@H](C)C2CCC2)[C@@H](C)C1 ZINC000309044905 491143335 /nfs/dbraw/zinc/14/33/35/491143335.db2.gz NTFHGRDLZUIELD-LOWVWBTDSA-N 2 2 210.365 2.105 10 0 BEAELP CCC[C@H](C)C[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000309090158 491144513 /nfs/dbraw/zinc/14/45/13/491144513.db2.gz BWDRROSVBZHVQW-YNEHKIRRSA-N 2 2 212.381 2.352 10 0 BEAELP CCC[C@H](C)C[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000309090158 491144514 /nfs/dbraw/zinc/14/45/14/491144514.db2.gz BWDRROSVBZHVQW-YNEHKIRRSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(C)cc[nH+]2)C1 ZINC000309668616 491154265 /nfs/dbraw/zinc/15/42/65/491154265.db2.gz VEPFCSGTWUEDRY-NEPJUHHUSA-N 2 2 219.332 2.142 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H](Nc2cc(C)cc[nH+]2)C1 ZINC000309668616 491154266 /nfs/dbraw/zinc/15/42/66/491154266.db2.gz VEPFCSGTWUEDRY-NEPJUHHUSA-N 2 2 219.332 2.142 10 0 BEAELP [NH3+]CC1([N@@H+]2CCCSCC2)CCCCCC1 ZINC000042443586 181360638 /nfs/dbraw/zinc/36/06/38/181360638.db2.gz KOEOLMMFVNTOPA-UHFFFAOYSA-N 2 2 242.432 2.477 10 0 BEAELP [NH3+]CC1([N@H+]2CCCSCC2)CCCCCC1 ZINC000042443586 181360639 /nfs/dbraw/zinc/36/06/39/181360639.db2.gz KOEOLMMFVNTOPA-UHFFFAOYSA-N 2 2 242.432 2.477 10 0 BEAELP C[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@H]1C[NH3+] ZINC000630554557 364250243 /nfs/dbraw/zinc/25/02/43/364250243.db2.gz QJERJEYWHMVQFK-DGCLKSJQSA-N 2 2 241.338 2.266 10 0 BEAELP [NH3+]CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000037712369 181397358 /nfs/dbraw/zinc/39/73/58/181397358.db2.gz MTTLLLIDWCKYQR-OAHLLOKOSA-N 2 2 244.313 2.463 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC000381315551 367379931 /nfs/dbraw/zinc/37/99/31/367379931.db2.gz UZRCNCQHYQJITL-LBPRGKRZSA-N 2 2 224.373 2.240 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC000381315551 367379935 /nfs/dbraw/zinc/37/99/35/367379935.db2.gz UZRCNCQHYQJITL-LBPRGKRZSA-N 2 2 224.373 2.240 10 0 BEAELP C[NH+]1CCC(N2CCCc3cc([NH3+])ccc32)CC1 ZINC000084828368 368858863 /nfs/dbraw/zinc/85/88/63/368858863.db2.gz CHJOVBOVRDCCEX-UHFFFAOYSA-N 2 2 245.370 2.116 10 0 BEAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000036946850 181560623 /nfs/dbraw/zinc/56/06/23/181560623.db2.gz NGEPUGJCPUESOJ-JTQLQIEISA-N 2 2 221.691 2.306 10 0 BEAELP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000040672426 373588454 /nfs/dbraw/zinc/58/84/54/373588454.db2.gz ZCBXTTOLDSAPRQ-QWHCGFSZSA-N 2 2 208.349 2.027 10 0 BEAELP C[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000040672426 373588457 /nfs/dbraw/zinc/58/84/57/373588457.db2.gz ZCBXTTOLDSAPRQ-QWHCGFSZSA-N 2 2 208.349 2.027 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH3+])[C@@H]1c1cccs1 ZINC000069799275 373807677 /nfs/dbraw/zinc/80/76/77/373807677.db2.gz NEZJWHGZSMWZQF-GXSJLCMTSA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH3+])[C@@H]1c1cccs1 ZINC000069799275 373807681 /nfs/dbraw/zinc/80/76/81/373807681.db2.gz NEZJWHGZSMWZQF-GXSJLCMTSA-N 2 2 210.346 2.232 10 0 BEAELP CCC[NH+](CCC)C[C@H]([NH3+])[C@H](C)CC ZINC000020072236 169149001 /nfs/dbraw/zinc/14/90/01/169149001.db2.gz YJLWEGPFWMDFOF-NEPJUHHUSA-N 2 2 200.370 2.482 10 0 BEAELP CCC[N@H+]([C@@H](C)CC(C)(C)OC)[C@@H]1CC[NH2+]C1 ZINC000071314818 169182056 /nfs/dbraw/zinc/18/20/56/169182056.db2.gz JDPKXGYMNVVMFL-QWHCGFSZSA-N 2 2 242.407 2.264 10 0 BEAELP CCC[N@@H+]([C@@H](C)CC(C)(C)OC)[C@@H]1CC[NH2+]C1 ZINC000071314818 169182058 /nfs/dbraw/zinc/18/20/58/169182058.db2.gz JDPKXGYMNVVMFL-QWHCGFSZSA-N 2 2 242.407 2.264 10 0 BEAELP CCC[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC000104330836 169179445 /nfs/dbraw/zinc/17/94/45/169179445.db2.gz AZELADFPCZKUAI-AWEZNQCLSA-N 2 2 233.359 2.046 10 0 BEAELP CCC[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC000104330836 169179446 /nfs/dbraw/zinc/17/94/46/169179446.db2.gz AZELADFPCZKUAI-AWEZNQCLSA-N 2 2 233.359 2.046 10 0 BEAELP CCC[NH2+]C1(c2nc(C)cs2)CC[NH2+]CC1 ZINC000041061388 169255008 /nfs/dbraw/zinc/25/50/08/169255008.db2.gz BEQYIMOPNVHRIE-UHFFFAOYSA-N 2 2 239.388 2.030 10 0 BEAELP CCC[NH2+]CC(C)(C)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000051216956 169255494 /nfs/dbraw/zinc/25/54/94/169255494.db2.gz QUYLOIBJLLBINY-STQMWFEESA-N 2 2 242.407 2.121 10 0 BEAELP CCC[NH2+]CC(C)(C)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000051216956 169255497 /nfs/dbraw/zinc/25/54/97/169255497.db2.gz QUYLOIBJLLBINY-STQMWFEESA-N 2 2 242.407 2.121 10 0 BEAELP CCC[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000052478926 169261518 /nfs/dbraw/zinc/26/15/18/169261518.db2.gz HEEAPXTWIRVIJS-ZDUSSCGKSA-N 2 2 235.375 2.292 10 0 BEAELP CCC[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000052478926 169261519 /nfs/dbraw/zinc/26/15/19/169261519.db2.gz HEEAPXTWIRVIJS-ZDUSSCGKSA-N 2 2 235.375 2.292 10 0 BEAELP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1[C@@H]1CCOC1 ZINC000112174103 169276297 /nfs/dbraw/zinc/27/62/97/169276297.db2.gz LTMKKNQXXACDKL-BFHYXJOUSA-N 2 2 240.391 2.018 10 0 BEAELP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1[C@@H]1CCOC1 ZINC000112174103 169276299 /nfs/dbraw/zinc/27/62/99/169276299.db2.gz LTMKKNQXXACDKL-BFHYXJOUSA-N 2 2 240.391 2.018 10 0 BEAELP CCC[C@@H](C)[NH2+]CC[NH+]1CCC(OCC)CC1 ZINC000053389280 169369461 /nfs/dbraw/zinc/36/94/61/169369461.db2.gz CAIPKYUGJYWEIM-CYBMUJFWSA-N 2 2 242.407 2.266 10 0 BEAELP CCC[C@@H](C)C[NH2+]CC(C)(C)[NH+](C)C ZINC000020125990 169358580 /nfs/dbraw/zinc/35/85/80/169358580.db2.gz XFLILZFXLSLOGM-LLVKDONJSA-N 2 2 200.370 2.352 10 0 BEAELP C[NH2+][C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000050269832 383990261 /nfs/dbraw/zinc/99/02/61/383990261.db2.gz WVELHJDCINDLNR-VIFPVBQESA-N 2 2 219.115 2.213 10 0 BEAELP C[C@@H](C[NH2+]CCn1cc[nH+]c1)Cc1ccccc1 ZINC000132905507 384260390 /nfs/dbraw/zinc/26/03/90/384260390.db2.gz LOVRCGKNKCJEFU-CQSZACIVSA-N 2 2 243.354 2.352 10 0 BEAELP C[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1nccs1 ZINC000095068326 384329683 /nfs/dbraw/zinc/32/96/83/384329683.db2.gz QFBAZHKNXKPXAC-GUBZILKMSA-N 2 2 225.361 2.064 10 0 BEAELP CN(c1cc(C(F)(F)F)cc[nH+]1)C1CC([NH3+])C1 ZINC000335661432 384464243 /nfs/dbraw/zinc/46/42/43/384464243.db2.gz RYYOWIUTOMNOMM-UHFFFAOYSA-N 2 2 245.248 2.026 10 0 BEAELP C[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)c2cccs2)C1 ZINC000100266000 384628718 /nfs/dbraw/zinc/62/87/18/384628718.db2.gz ZNEGBTJZMXSFAT-WDEREUQCSA-N 2 2 224.373 2.493 10 0 BEAELP C[NH2+][C@@H]1CCC[N@H+]([C@@H](C)c2cccs2)C1 ZINC000100266000 384628721 /nfs/dbraw/zinc/62/87/21/384628721.db2.gz ZNEGBTJZMXSFAT-WDEREUQCSA-N 2 2 224.373 2.493 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403324829 384633852 /nfs/dbraw/zinc/63/38/52/384633852.db2.gz BFUJCSMTHSVYJK-MQYQWHSLSA-N 2 2 222.376 2.106 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403324829 384633856 /nfs/dbraw/zinc/63/38/56/384633856.db2.gz BFUJCSMTHSVYJK-MQYQWHSLSA-N 2 2 222.376 2.106 10 0 BEAELP CCc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000045946258 384668906 /nfs/dbraw/zinc/66/89/06/384668906.db2.gz UMVQUWYXEOILLX-UHFFFAOYSA-N 2 2 229.327 2.304 10 0 BEAELP CCc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000045946258 384668915 /nfs/dbraw/zinc/66/89/15/384668915.db2.gz UMVQUWYXEOILLX-UHFFFAOYSA-N 2 2 229.327 2.304 10 0 BEAELP [NH3+]C[C@@H](c1ccc(Cl)s1)n1cc[nH+]c1 ZINC000043254325 384682642 /nfs/dbraw/zinc/68/26/42/384682642.db2.gz HZXJJIBVWFFKKH-ZETCQYMHSA-N 2 2 227.720 2.146 10 0 BEAELP Cn1cc[nH+]c1CNc1ccc(C[NH+](C)C)cc1 ZINC000051923299 384704318 /nfs/dbraw/zinc/70/43/18/384704318.db2.gz BMGJQEIAYCMDTL-UHFFFAOYSA-N 2 2 244.342 2.094 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1ccc(Cl)cc1C(F)(F)F ZINC000044473122 384743218 /nfs/dbraw/zinc/74/32/18/384743218.db2.gz YWHBAZACCIEICA-QMMMGPOBSA-N 2 2 238.640 2.317 10 0 BEAELP Cc1cc[nH+]cc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128038717 384981810 /nfs/dbraw/zinc/98/18/10/384981810.db2.gz FBPKKIOGQGLNBJ-QWHCGFSZSA-N 2 2 231.343 2.429 10 0 BEAELP Cc1cc[nH+]cc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128038717 384981815 /nfs/dbraw/zinc/98/18/15/384981815.db2.gz FBPKKIOGQGLNBJ-QWHCGFSZSA-N 2 2 231.343 2.429 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000044469533 385202525 /nfs/dbraw/zinc/20/25/25/385202525.db2.gz MAXAAORCIUQUFU-MRVPVSSYSA-N 2 2 238.640 2.317 10 0 BEAELP CCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044685384 385219362 /nfs/dbraw/zinc/21/93/62/385219362.db2.gz VJPJBAWQXWHFKB-NWDGAFQWSA-N 2 2 210.365 2.249 10 0 BEAELP CCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044685384 385219368 /nfs/dbraw/zinc/21/93/68/385219368.db2.gz VJPJBAWQXWHFKB-NWDGAFQWSA-N 2 2 210.365 2.249 10 0 BEAELP Cc1ccc(CCC[NH2+][C@@H]2C[C@H]2C)c[nH+]1 ZINC000309161813 385443898 /nfs/dbraw/zinc/44/38/98/385443898.db2.gz ZKRGGQZCGMWPJT-ZWNOBZJWSA-N 2 2 204.317 2.321 10 0 BEAELP CC[C@@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000309169679 385448805 /nfs/dbraw/zinc/44/88/05/385448805.db2.gz KTIFPECTBSHASN-MNOVXSKESA-N 2 2 207.321 2.149 10 0 BEAELP C[NH2+][C@H](C[NH3+])c1csc2ccccc12 ZINC000054464598 385590115 /nfs/dbraw/zinc/59/01/15/385590115.db2.gz FISGGBNMXVGGLG-SNVBAGLBSA-N 2 2 206.314 2.121 10 0 BEAELP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000336770230 386010726 /nfs/dbraw/zinc/01/07/26/386010726.db2.gz VKWFQQKELARCOF-JHJVBQTASA-N 2 2 212.381 2.495 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000396563875 386778700 /nfs/dbraw/zinc/77/87/00/386778700.db2.gz UXXRFYITSGSQMQ-CQDKDKBSSA-N 2 2 230.355 2.404 10 0 BEAELP C[C@@H](C[NH3+])CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486560 387062931 /nfs/dbraw/zinc/06/29/31/387062931.db2.gz VHCVGVFEDWFSFQ-ZETCQYMHSA-N 2 2 233.237 2.107 10 0 BEAELP C[NH2+][C@H]1CCC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000053201263 387019939 /nfs/dbraw/zinc/01/99/39/387019939.db2.gz UGSXCGCEIKEEMD-OCCSQVGLSA-N 2 2 248.370 2.440 10 0 BEAELP C[NH2+][C@H]1CCC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000053201263 387019942 /nfs/dbraw/zinc/01/99/42/387019942.db2.gz UGSXCGCEIKEEMD-OCCSQVGLSA-N 2 2 248.370 2.440 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 ZINC000321758412 387301149 /nfs/dbraw/zinc/30/11/49/387301149.db2.gz CFNNFXZCXLOTPP-RNJOBUHISA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 ZINC000321758412 387301157 /nfs/dbraw/zinc/30/11/57/387301157.db2.gz CFNNFXZCXLOTPP-RNJOBUHISA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)[C@H]1C[C@@H]1C ZINC000321952370 387336369 /nfs/dbraw/zinc/33/63/69/387336369.db2.gz XAFPEPKUHQIUCW-RNJOBUHISA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)[C@H]1C[C@@H]1C ZINC000321952370 387336376 /nfs/dbraw/zinc/33/63/76/387336376.db2.gz XAFPEPKUHQIUCW-RNJOBUHISA-N 2 2 210.365 2.105 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000035677080 387437240 /nfs/dbraw/zinc/43/72/40/387437240.db2.gz GNOKAQKANCBPMK-CQSZACIVSA-N 2 2 212.296 2.312 10 0 BEAELP CC[C@H]([NH2+]C1CCC([NH3+])CC1)C(F)(F)F ZINC000423068675 387872071 /nfs/dbraw/zinc/87/20/71/387872071.db2.gz KLHRHKSLFUUCMI-HACHORDNSA-N 2 2 224.270 2.187 10 0 BEAELP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C2)c1 ZINC000328442715 388644031 /nfs/dbraw/zinc/64/40/31/388644031.db2.gz BABWVILDSLSWCQ-AWEZNQCLSA-N 2 2 248.370 2.269 10 0 BEAELP CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C2)c1 ZINC000328442715 388644033 /nfs/dbraw/zinc/64/40/33/388644033.db2.gz BABWVILDSLSWCQ-AWEZNQCLSA-N 2 2 248.370 2.269 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000252709512 388771609 /nfs/dbraw/zinc/77/16/09/388771609.db2.gz DBOSAVJNYGEVON-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000252709512 388771613 /nfs/dbraw/zinc/77/16/13/388771613.db2.gz DBOSAVJNYGEVON-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H]([NH3+])[C@@H]([NH+]1CCC(C)CC1)C(C)(C)C ZINC000043291294 168187409 /nfs/dbraw/zinc/18/74/09/168187409.db2.gz GWKGYWYRBAHDGC-VXGBXAGGSA-N 2 2 212.381 2.480 10 0 BEAELP CC[N@H+](C)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042971232 169713001 /nfs/dbraw/zinc/71/30/01/169713001.db2.gz BVLWNPLUWHEICP-BXKDBHETSA-N 2 2 210.296 2.166 10 0 BEAELP CC[N@@H+](C)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042971232 169713004 /nfs/dbraw/zinc/71/30/04/169713004.db2.gz BVLWNPLUWHEICP-BXKDBHETSA-N 2 2 210.296 2.166 10 0 BEAELP [NH3+][C@H]1CCCN(c2ccc([NH+]3CCCC3)cc2)C1 ZINC000057955962 132367484 /nfs/dbraw/zinc/36/74/84/132367484.db2.gz GXCNIGNKAMHFRE-ZDUSSCGKSA-N 2 2 245.370 2.214 10 0 BEAELP COCCC[C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000178681311 134313001 /nfs/dbraw/zinc/31/30/01/134313001.db2.gz FBARFKMJNCKNTR-ZIAGYGMSSA-N 2 2 244.423 2.367 10 0 BEAELP CC(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248021276 135001959 /nfs/dbraw/zinc/00/19/59/135001959.db2.gz NVXPFFFEPDEPDQ-UKRRQHHQSA-N 2 2 247.386 2.290 10 0 BEAELP CC(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248021276 135001960 /nfs/dbraw/zinc/00/19/60/135001960.db2.gz NVXPFFFEPDEPDQ-UKRRQHHQSA-N 2 2 247.386 2.290 10 0 BEAELP C[C@H]1CC[N@H+](Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000261540647 135180115 /nfs/dbraw/zinc/18/01/15/135180115.db2.gz GWTNWVVODVGPJG-FZMZJTMJSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000261540647 135180116 /nfs/dbraw/zinc/18/01/16/135180116.db2.gz GWTNWVVODVGPJG-FZMZJTMJSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@H]1CC[N@H+](Cc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000261543585 135184681 /nfs/dbraw/zinc/18/46/81/135184681.db2.gz UWNJFJQWNQPCLB-FZMZJTMJSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000261543585 135184682 /nfs/dbraw/zinc/18/46/82/135184682.db2.gz UWNJFJQWNQPCLB-FZMZJTMJSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000261985277 135269710 /nfs/dbraw/zinc/26/97/10/135269710.db2.gz JQRNDNFOJXRADY-OAWOSGDHSA-N 2 2 234.318 2.118 10 0 BEAELP C[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000261985277 135269711 /nfs/dbraw/zinc/26/97/11/135269711.db2.gz JQRNDNFOJXRADY-OAWOSGDHSA-N 2 2 234.318 2.118 10 0 BEAELP Cc1cnc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)o1 ZINC000348364491 136073064 /nfs/dbraw/zinc/07/30/64/136073064.db2.gz YNFRARAWWGPJJL-LLVKDONJSA-N 2 2 248.330 2.229 10 0 BEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000649811491 398116196 /nfs/dbraw/zinc/11/61/96/398116196.db2.gz UOWGMRQTZFBSGI-LBPRGKRZSA-N 2 2 208.349 2.003 10 0 BEAELP C[N@H+]1CCC[C@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000649811491 398116197 /nfs/dbraw/zinc/11/61/97/398116197.db2.gz UOWGMRQTZFBSGI-LBPRGKRZSA-N 2 2 208.349 2.003 10 0 BEAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000309183866 171390153 /nfs/dbraw/zinc/39/01/53/171390153.db2.gz OFZNSFKUYBTUBU-ZDEQEGDKSA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309183866 171390154 /nfs/dbraw/zinc/39/01/54/171390154.db2.gz OFZNSFKUYBTUBU-ZDEQEGDKSA-N 2 2 212.381 2.351 10 0 BEAELP CC(C)[NH2+][C@]1(C[NH3+])CCCc2ccccc21 ZINC000050270930 167141997 /nfs/dbraw/zinc/14/19/97/167141997.db2.gz QBZBTMGUYKKTEA-AWEZNQCLSA-N 2 2 218.344 2.175 10 0 BEAELP C[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CCCCC1(F)F ZINC000324428384 487609080 /nfs/dbraw/zinc/60/90/80/487609080.db2.gz BADGURUPSTXRLK-UWVGGRQHSA-N 2 2 220.307 2.091 10 0 BEAELP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000324428384 487609087 /nfs/dbraw/zinc/60/90/87/487609087.db2.gz BADGURUPSTXRLK-UWVGGRQHSA-N 2 2 220.307 2.091 10 0 BEAELP C[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)c(F)c1 ZINC000215021544 409635116 /nfs/dbraw/zinc/63/51/16/409635116.db2.gz WWFMWHHSBYXIAZ-SSDOTTSWSA-N 2 2 216.687 2.088 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000309671629 167028890 /nfs/dbraw/zinc/02/88/90/167028890.db2.gz KAHLJCRYRDGSKN-FRRDWIJNSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000309671629 167028891 /nfs/dbraw/zinc/02/88/91/167028891.db2.gz KAHLJCRYRDGSKN-FRRDWIJNSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000336653179 167029056 /nfs/dbraw/zinc/02/90/56/167029056.db2.gz GAGYLENCSHCRIL-KSTCHIGDSA-N 2 2 224.392 2.349 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000336653179 167029058 /nfs/dbraw/zinc/02/90/58/167029058.db2.gz GAGYLENCSHCRIL-KSTCHIGDSA-N 2 2 224.392 2.349 10 0 BEAELP CC(C)[NH2+]CCCc1[nH]cc(-c2cccnc2)[nH+]1 ZINC000037634991 167102982 /nfs/dbraw/zinc/10/29/82/167102982.db2.gz FVNWZGZKYROMAX-UHFFFAOYSA-N 2 2 244.342 2.402 10 0 BEAELP CC(C)[NH2+]CCc1[nH]cc(C(C)(C)C)[nH+]1 ZINC000037480349 167108421 /nfs/dbraw/zinc/10/84/21/167108421.db2.gz FAEGGMFZNYWZPB-UHFFFAOYSA-N 2 2 209.337 2.248 10 0 BEAELP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000053649024 167114030 /nfs/dbraw/zinc/11/40/30/167114030.db2.gz JAXUEZQMJGQIFW-KBPBESRZSA-N 2 2 240.391 2.018 10 0 BEAELP CC(C)[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCCO1 ZINC000053649024 167114032 /nfs/dbraw/zinc/11/40/32/167114032.db2.gz JAXUEZQMJGQIFW-KBPBESRZSA-N 2 2 240.391 2.018 10 0 BEAELP CC(C)[NH2+][C@H](C[NH3+])c1ccccc1OC(F)F ZINC000050270918 167140543 /nfs/dbraw/zinc/14/05/43/167140543.db2.gz ZAOMPKDIPOPWHA-SNVBAGLBSA-N 2 2 244.285 2.286 10 0 BEAELP CC(C)Nc1[nH+]cnc(Nc2cc[nH+]cc2)c1N ZINC000040687507 167151274 /nfs/dbraw/zinc/15/12/74/167151274.db2.gz WFPXASCEWZYGBZ-UHFFFAOYSA-N 2 2 244.302 2.018 10 0 BEAELP CC(C)OCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC1 ZINC000053652198 167232323 /nfs/dbraw/zinc/23/23/23/167232323.db2.gz QDDAMQBDBWYMAE-AWEZNQCLSA-N 2 2 240.391 2.018 10 0 BEAELP CC(C)OCC[N@H+]1CCCC[C@H]1C[NH2+]C1CC1 ZINC000053652198 167232324 /nfs/dbraw/zinc/23/23/24/167232324.db2.gz QDDAMQBDBWYMAE-AWEZNQCLSA-N 2 2 240.391 2.018 10 0 BEAELP CC(C)Oc1ccc([C@H]([NH3+])Cn2cc[nH+]c2)cc1 ZINC000023068023 167300763 /nfs/dbraw/zinc/30/07/63/167300763.db2.gz LMOZWKJGTUMZMA-CQSZACIVSA-N 2 2 245.326 2.370 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655697492 411244410 /nfs/dbraw/zinc/24/44/10/411244410.db2.gz QONBMRGSBWAEKO-AGIUHOORSA-N 2 2 242.432 2.344 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655697492 411244416 /nfs/dbraw/zinc/24/44/16/411244416.db2.gz QONBMRGSBWAEKO-AGIUHOORSA-N 2 2 242.432 2.344 10 0 BEAELP COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396727751 411240380 /nfs/dbraw/zinc/24/03/80/411240380.db2.gz ZMCPVRFARAPPNX-OBJOEFQTSA-N 2 2 248.370 2.486 10 0 BEAELP Cc1cc2ccccc2[nH+]c1N1CC[C@@H](C[NH3+])C1 ZINC000063106357 411341755 /nfs/dbraw/zinc/34/17/55/411341755.db2.gz AYMQOVUYEBFEED-LBPRGKRZSA-N 2 2 241.338 2.328 10 0 BEAELP CC1CCC(C[NH3+])([NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019484277 168152693 /nfs/dbraw/zinc/15/26/93/168152693.db2.gz KINSKZLQYXMVOZ-QPPOZKHWSA-N 2 2 240.391 2.003 10 0 BEAELP CC1CCC(C[NH3+])([N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000035783587 168153429 /nfs/dbraw/zinc/15/34/29/168153429.db2.gz DXCUZOGYDXMTFA-YIFLHPOLSA-N 2 2 240.391 2.003 10 0 BEAELP CC1CCC(C[NH3+])([N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000035783587 168153431 /nfs/dbraw/zinc/15/34/31/168153431.db2.gz DXCUZOGYDXMTFA-YIFLHPOLSA-N 2 2 240.391 2.003 10 0 BEAELP CC1CCC(C[NH3+])([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000019484275 168154200 /nfs/dbraw/zinc/15/42/00/168154200.db2.gz KINSKZLQYXMVOZ-AKJUYKBHSA-N 2 2 240.391 2.003 10 0 BEAELP CC1CCC(C[NH3+])([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000019484275 168154202 /nfs/dbraw/zinc/15/42/02/168154202.db2.gz KINSKZLQYXMVOZ-AKJUYKBHSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H](C[NH2+]CC1CCC(C)CC1)[NH+](C)C ZINC000084339330 168155691 /nfs/dbraw/zinc/15/56/91/168155691.db2.gz JJGIBBJYPDAVIC-CPCZMJQVSA-N 2 2 212.381 2.352 10 0 BEAELP CC1CC[NH+]([C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000023071620 168186736 /nfs/dbraw/zinc/18/67/36/168186736.db2.gz XELKFMCLAAPBCM-CHWSQXEVSA-N 2 2 210.365 2.378 10 0 BEAELP CCC(=O)CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000190266805 168202321 /nfs/dbraw/zinc/20/23/21/168202321.db2.gz UCBGWPQIUQYFFR-CYBMUJFWSA-N 2 2 249.358 2.025 10 0 BEAELP CCC(=O)CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000190266805 168202325 /nfs/dbraw/zinc/20/23/25/168202325.db2.gz UCBGWPQIUQYFFR-CYBMUJFWSA-N 2 2 249.358 2.025 10 0 BEAELP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C(C)C ZINC000657330253 411467105 /nfs/dbraw/zinc/46/71/05/411467105.db2.gz SUPFELUHERPJCX-GFCCVEGCSA-N 2 2 209.337 2.253 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000040502397 169975747 /nfs/dbraw/zinc/97/57/47/169975747.db2.gz PUJIJMPOGYWNFL-ZDUSSCGKSA-N 2 2 210.365 2.393 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000040502397 169975748 /nfs/dbraw/zinc/97/57/48/169975748.db2.gz PUJIJMPOGYWNFL-ZDUSSCGKSA-N 2 2 210.365 2.393 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000328456096 170020243 /nfs/dbraw/zinc/02/02/43/170020243.db2.gz FJINDQGTOJFRAX-HIFRSBDPSA-N 2 2 232.371 2.474 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000328456096 170020244 /nfs/dbraw/zinc/02/02/44/170020244.db2.gz FJINDQGTOJFRAX-HIFRSBDPSA-N 2 2 232.371 2.474 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000328199369 170020942 /nfs/dbraw/zinc/02/09/42/170020942.db2.gz RODLHYPMUOXWLJ-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000328199369 170020944 /nfs/dbraw/zinc/02/09/44/170020944.db2.gz RODLHYPMUOXWLJ-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000328508650 170022707 /nfs/dbraw/zinc/02/27/07/170022707.db2.gz MNFAHWCGMQPNME-JSGCOSHPSA-N 2 2 218.344 2.431 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000328508650 170022709 /nfs/dbraw/zinc/02/27/09/170022709.db2.gz MNFAHWCGMQPNME-JSGCOSHPSA-N 2 2 218.344 2.431 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(SC)CCC2)C1 ZINC000336777158 170032136 /nfs/dbraw/zinc/03/21/36/170032136.db2.gz HOFINXAYNWHHNV-VXGBXAGGSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(SC)CCC2)C1 ZINC000336777158 170032138 /nfs/dbraw/zinc/03/21/38/170032138.db2.gz HOFINXAYNWHHNV-VXGBXAGGSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000309034592 170036820 /nfs/dbraw/zinc/03/68/20/170036820.db2.gz HJHCUHJFXFDRSM-AVGNSLFASA-N 2 2 212.381 2.351 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000309034592 170036821 /nfs/dbraw/zinc/03/68/21/170036821.db2.gz HJHCUHJFXFDRSM-AVGNSLFASA-N 2 2 212.381 2.351 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@H](C)CCC2CC2)[C@@H](C)C1 ZINC000309959774 170037170 /nfs/dbraw/zinc/03/71/70/170037170.db2.gz KKYDHBHGWKIHKH-SCRDCRAPSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CCC2CC2)[C@@H](C)C1 ZINC000309959774 170037171 /nfs/dbraw/zinc/03/71/71/170037171.db2.gz KKYDHBHGWKIHKH-SCRDCRAPSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000336779665 170039753 /nfs/dbraw/zinc/03/97/53/170039753.db2.gz PCTCJRBLXIDJPX-XDQVBPFNSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000336779665 170039754 /nfs/dbraw/zinc/03/97/54/170039754.db2.gz PCTCJRBLXIDJPX-XDQVBPFNSA-N 2 2 224.392 2.495 10 0 BEAELP CC[NH2+]C1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000049533889 170108856 /nfs/dbraw/zinc/10/88/56/170108856.db2.gz WHGGTLWYAVMWDT-UHFFFAOYSA-N 2 2 239.388 2.025 10 0 BEAELP CC[NH2+]CCn1c(CC)[nH+]c2ccccc21 ZINC000049478564 170118095 /nfs/dbraw/zinc/11/80/95/170118095.db2.gz BHNUXMNHXYENJG-UHFFFAOYSA-N 2 2 217.316 2.208 10 0 BEAELP CC[NH2+][C@@H](C[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000050270198 170145359 /nfs/dbraw/zinc/14/53/59/170145359.db2.gz ZOCUZKMXMQWJHZ-HNNXBMFYSA-N 2 2 244.338 2.458 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+](Cc2ccncc2)[C@H](C)C1 ZINC000049712481 170151508 /nfs/dbraw/zinc/15/15/08/170151508.db2.gz BXXQYKZPLWJFAK-TZMCWYRMSA-N 2 2 233.359 2.044 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccncc2)[C@H](C)C1 ZINC000049712481 170151510 /nfs/dbraw/zinc/15/15/10/170151510.db2.gz BXXQYKZPLWJFAK-TZMCWYRMSA-N 2 2 233.359 2.044 10 0 BEAELP CC[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000104428146 170159055 /nfs/dbraw/zinc/15/90/55/170159055.db2.gz VUKMMHHWGXOPOV-UKRRQHHQSA-N 2 2 247.386 2.434 10 0 BEAELP CC[NH2+][C@H](C)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000104428146 170159056 /nfs/dbraw/zinc/15/90/56/170159056.db2.gz VUKMMHHWGXOPOV-UKRRQHHQSA-N 2 2 247.386 2.434 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000037719614 170166624 /nfs/dbraw/zinc/16/66/24/170166624.db2.gz SJGYGBPISBAGSR-HNNXBMFYSA-N 2 2 232.371 2.303 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000037719614 170166626 /nfs/dbraw/zinc/16/66/26/170166626.db2.gz SJGYGBPISBAGSR-HNNXBMFYSA-N 2 2 232.371 2.303 10 0 BEAELP CC[NH2+][C@H]1CCC[C@@H]1[NH+]1CCCCCC1 ZINC000043812170 170166928 /nfs/dbraw/zinc/16/69/28/170166928.db2.gz OKOOQYQBGZMTOQ-STQMWFEESA-N 2 2 210.365 2.393 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2cccs2)C1 ZINC000037483674 170167466 /nfs/dbraw/zinc/16/74/66/170167466.db2.gz JGHZKUMZVDCIAS-QWRGUYRKSA-N 2 2 224.373 2.493 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2cccs2)C1 ZINC000037483674 170167467 /nfs/dbraw/zinc/16/74/67/170167467.db2.gz JGHZKUMZVDCIAS-QWRGUYRKSA-N 2 2 224.373 2.493 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)[C@H](C)C1 ZINC000049712262 170167819 /nfs/dbraw/zinc/16/78/19/170167819.db2.gz USPCBTCCTHASNJ-OLZOCXBDSA-N 2 2 233.359 2.044 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)[C@H](C)C1 ZINC000049712262 170167820 /nfs/dbraw/zinc/16/78/20/170167820.db2.gz USPCBTCCTHASNJ-OLZOCXBDSA-N 2 2 233.359 2.044 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C[C@@H]1C ZINC000049712728 170167837 /nfs/dbraw/zinc/16/78/37/170167837.db2.gz SMMSFPONGPANEK-YDHLFZDLSA-N 2 2 247.386 2.463 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2cccnc2)C[C@@H]1C ZINC000049712728 170167839 /nfs/dbraw/zinc/16/78/39/170167839.db2.gz SMMSFPONGPANEK-YDHLFZDLSA-N 2 2 247.386 2.463 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+](Cc2cccnc2)[C@H](C)C1 ZINC000049712460 170168353 /nfs/dbraw/zinc/16/83/53/170168353.db2.gz LYWQARZMLKBNJU-OCCSQVGLSA-N 2 2 233.359 2.044 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+](Cc2cccnc2)[C@H](C)C1 ZINC000049712460 170168354 /nfs/dbraw/zinc/16/83/54/170168354.db2.gz LYWQARZMLKBNJU-OCCSQVGLSA-N 2 2 233.359 2.044 10 0 BEAELP CCOCCCC[NH2+]CC[N@H+](C)CC(C)(C)C ZINC000053440761 170369226 /nfs/dbraw/zinc/36/92/26/170369226.db2.gz OMXYBALCPAKSTC-UHFFFAOYSA-N 2 2 244.423 2.371 10 0 BEAELP CCOCCCC[NH2+]CC[N@@H+](C)CC(C)(C)C ZINC000053440761 170369227 /nfs/dbraw/zinc/36/92/27/170369227.db2.gz OMXYBALCPAKSTC-UHFFFAOYSA-N 2 2 244.423 2.371 10 0 BEAELP CC[C@@H]1CC[N@H+](CCOc2ccccc2)CC[NH2+]1 ZINC000042897850 171011499 /nfs/dbraw/zinc/01/14/99/171011499.db2.gz MGVCUXDNIJBBGW-CQSZACIVSA-N 2 2 248.370 2.139 10 0 BEAELP CC[C@@H]1CC[N@@H+](CCOc2ccccc2)CC[NH2+]1 ZINC000042897850 171011502 /nfs/dbraw/zinc/01/15/02/171011502.db2.gz MGVCUXDNIJBBGW-CQSZACIVSA-N 2 2 248.370 2.139 10 0 BEAELP CC[C@@H]1C[N@@H+](C2(C[NH3+])CCCCCC2)CCO1 ZINC000036769522 171074764 /nfs/dbraw/zinc/07/47/64/171074764.db2.gz IAOMBPNLEYGFOD-CYBMUJFWSA-N 2 2 240.391 2.149 10 0 BEAELP CC[C@@H]1C[N@H+](C2(C[NH3+])CCCCCC2)CCO1 ZINC000036769522 171074767 /nfs/dbraw/zinc/07/47/67/171074767.db2.gz IAOMBPNLEYGFOD-CYBMUJFWSA-N 2 2 240.391 2.149 10 0 BEAELP CC[C@H](C)[C@@H](C[NH3+])[NH+]1Cc2ccccc2C1 ZINC000050910526 171369151 /nfs/dbraw/zinc/36/91/51/171369151.db2.gz SWVCNTPPYGODPW-SMDDNHRTSA-N 2 2 218.344 2.376 10 0 BEAELP CC[C@H](C)[C@H](C[NH3+])[N@H+](CC)Cc1ccncc1 ZINC000042515335 171391892 /nfs/dbraw/zinc/39/18/92/171391892.db2.gz LDIRZSQQMSWKDR-JSGCOSHPSA-N 2 2 235.375 2.277 10 0 BEAELP CC[C@H](C)[C@H](C[NH3+])[N@@H+](CC)Cc1ccncc1 ZINC000042515335 171391894 /nfs/dbraw/zinc/39/18/94/171391894.db2.gz LDIRZSQQMSWKDR-JSGCOSHPSA-N 2 2 235.375 2.277 10 0 BEAELP CCc1nc(N[C@@H]2CCC[NH2+]C2)c(CC)c(C)[nH+]1 ZINC000045955313 171953514 /nfs/dbraw/zinc/95/35/14/171953514.db2.gz DWGPBLUNCZHGOZ-LLVKDONJSA-N 2 2 248.374 2.074 10 0 BEAELP CCc1[nH+]c2ccccc2n1[C@@H](C)C[NH3+] ZINC000057798916 172013402 /nfs/dbraw/zinc/01/34/02/172013402.db2.gz OLYFLQOOYMJBHA-VIFPVBQESA-N 2 2 203.289 2.118 10 0 BEAELP CCc1[nH+]c2ccccc2n1C[C@H]1CC[NH2+]C1 ZINC000062807711 172014010 /nfs/dbraw/zinc/01/40/10/172014010.db2.gz YFSZVNKUQGDBMN-NSHDSACASA-N 2 2 229.327 2.208 10 0 BEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105922670 172029804 /nfs/dbraw/zinc/02/98/04/172029804.db2.gz XCXKIGRJLIFLPC-GFCCVEGCSA-N 2 2 221.348 2.491 10 0 BEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105922670 172029808 /nfs/dbraw/zinc/02/98/08/172029808.db2.gz XCXKIGRJLIFLPC-GFCCVEGCSA-N 2 2 221.348 2.491 10 0 BEAELP C[N@H+](CCc1ccccc1)[C@@H](C[NH3+])c1ccco1 ZINC000020225282 172781700 /nfs/dbraw/zinc/78/17/00/172781700.db2.gz XSMJKIQCTDQCFU-AWEZNQCLSA-N 2 2 244.338 2.454 10 0 BEAELP C[N@@H+](CCc1ccccc1)[C@@H](C[NH3+])c1ccco1 ZINC000020225282 172781702 /nfs/dbraw/zinc/78/17/02/172781702.db2.gz XSMJKIQCTDQCFU-AWEZNQCLSA-N 2 2 244.338 2.454 10 0 BEAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000044561556 173010601 /nfs/dbraw/zinc/01/06/01/173010601.db2.gz KDVZKJQWSYPQOZ-KBPBESRZSA-N 2 2 222.376 2.417 10 0 BEAELP C[N@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000044561556 173010603 /nfs/dbraw/zinc/01/06/03/173010603.db2.gz KDVZKJQWSYPQOZ-KBPBESRZSA-N 2 2 222.376 2.417 10 0 BEAELP C[N@@H+]1CCc2nc(C[NH2+]C(C)(C)C)sc2C1 ZINC000053295626 173174554 /nfs/dbraw/zinc/17/45/54/173174554.db2.gz JTOBZQDOTMZTKP-UHFFFAOYSA-N 2 2 239.388 2.019 10 0 BEAELP C[N@H+]1CCc2nc(C[NH2+]C(C)(C)C)sc2C1 ZINC000053295626 173174557 /nfs/dbraw/zinc/17/45/57/173174557.db2.gz JTOBZQDOTMZTKP-UHFFFAOYSA-N 2 2 239.388 2.019 10 0 BEAELP C[NH2+]C(C)(C)C[N@H+](C)C1CCC(C)CC1 ZINC000061319691 173319674 /nfs/dbraw/zinc/31/96/74/173319674.db2.gz LMNVLEJWVMTAKF-UHFFFAOYSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C(C)(C)C[N@@H+](C)C1CCC(C)CC1 ZINC000061319691 173319676 /nfs/dbraw/zinc/31/96/76/173319676.db2.gz LMNVLEJWVMTAKF-UHFFFAOYSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]CCCc1[nH]c2cc(C)c(C)cc2[nH+]1 ZINC000051847874 173350807 /nfs/dbraw/zinc/35/08/07/173350807.db2.gz YAJCLROWDLHJHM-UHFFFAOYSA-N 2 2 217.316 2.332 10 0 BEAELP C[NH2+]CC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000059086513 173353003 /nfs/dbraw/zinc/35/30/03/173353003.db2.gz IXYVBECQYHQLLC-UHFFFAOYSA-N 2 2 226.751 2.034 10 0 BEAELP C[NH2+]CC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000059086513 173353005 /nfs/dbraw/zinc/35/30/05/173353005.db2.gz IXYVBECQYHQLLC-UHFFFAOYSA-N 2 2 226.751 2.034 10 0 BEAELP C[NH2+]C[C@@H](C)n1c[nH+]c2cc(C)c(C)cc21 ZINC000052575703 173364866 /nfs/dbraw/zinc/36/48/66/173364866.db2.gz AEKJJAMEIPLKMC-LLVKDONJSA-N 2 2 217.316 2.434 10 0 BEAELP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1cccs1 ZINC000019933384 173380330 /nfs/dbraw/zinc/38/03/30/173380330.db2.gz TUOQPUUEAFSXMZ-GFCCVEGCSA-N 2 2 238.400 2.365 10 0 BEAELP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1cccs1 ZINC000019933384 173380331 /nfs/dbraw/zinc/38/03/31/173380331.db2.gz TUOQPUUEAFSXMZ-GFCCVEGCSA-N 2 2 238.400 2.365 10 0 BEAELP COC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C(C)C ZINC000126355113 174486701 /nfs/dbraw/zinc/48/67/01/174486701.db2.gz YRUFFUJZWDHKAW-UONOGXRCSA-N 2 2 244.423 2.223 10 0 BEAELP COc1ccc([C@@H](C)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000022100615 175176360 /nfs/dbraw/zinc/17/63/60/175176360.db2.gz QKXHVORPJPJXEH-GFCCVEGCSA-N 2 2 234.343 2.052 10 0 BEAELP COc1ccc([C@@H](C)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000022100615 175176362 /nfs/dbraw/zinc/17/63/62/175176362.db2.gz QKXHVORPJPJXEH-GFCCVEGCSA-N 2 2 234.343 2.052 10 0 BEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CC2)cc1C ZINC000050596724 175178344 /nfs/dbraw/zinc/17/83/44/175178344.db2.gz ZZRZJTOTIDKXLC-CQSZACIVSA-N 2 2 248.370 2.345 10 0 BEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CC2)cc1C ZINC000050596724 175178345 /nfs/dbraw/zinc/17/83/45/175178345.db2.gz ZZRZJTOTIDKXLC-CQSZACIVSA-N 2 2 248.370 2.345 10 0 BEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)C(C)C)cc1 ZINC000042960199 175181650 /nfs/dbraw/zinc/18/16/50/175181650.db2.gz JNXSEVOZKOBORH-BXUZGUMPSA-N 2 2 236.359 2.424 10 0 BEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)C(C)C)cc1 ZINC000042960199 175181651 /nfs/dbraw/zinc/18/16/51/175181651.db2.gz JNXSEVOZKOBORH-BXUZGUMPSA-N 2 2 236.359 2.424 10 0 BEAELP COc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](C)CC2CC2)cc1 ZINC000042961356 175181882 /nfs/dbraw/zinc/18/18/82/175181882.db2.gz VGMHVIJEUPNUDS-XHDPSFHLSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)CC2CC2)cc1 ZINC000042961356 175181884 /nfs/dbraw/zinc/18/18/84/175181884.db2.gz VGMHVIJEUPNUDS-XHDPSFHLSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccc2c(c1)[nH+]c(CCC[NH3+])n2C1CC1 ZINC000076003443 175218673 /nfs/dbraw/zinc/21/86/73/175218673.db2.gz FXTRWAWYCLOPBJ-UHFFFAOYSA-N 2 2 245.326 2.271 10 0 BEAELP COc1cccc([C@H]([C@@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000043025407 175296009 /nfs/dbraw/zinc/29/60/09/175296009.db2.gz NUYDEGMHCVTPIO-RISCZKNCSA-N 2 2 234.343 2.179 10 0 BEAELP COc1ccccc1C[N@H+](CC[NH3+])CC(C)C ZINC000032090132 175326285 /nfs/dbraw/zinc/32/62/85/175326285.db2.gz KAYCLHKIODNYEA-UHFFFAOYSA-N 2 2 236.359 2.112 10 0 BEAELP COc1ccccc1C[N@@H+](CC[NH3+])CC(C)C ZINC000032090132 175326287 /nfs/dbraw/zinc/32/62/87/175326287.db2.gz KAYCLHKIODNYEA-UHFFFAOYSA-N 2 2 236.359 2.112 10 0 BEAELP COc1ccccc1[C@@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000022100066 175345402 /nfs/dbraw/zinc/34/54/02/175345402.db2.gz UZANXFOKZHRDNK-GFCCVEGCSA-N 2 2 234.343 2.052 10 0 BEAELP COc1ccccc1[C@@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000022100066 175345403 /nfs/dbraw/zinc/34/54/03/175345403.db2.gz UZANXFOKZHRDNK-GFCCVEGCSA-N 2 2 234.343 2.052 10 0 BEAELP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1[C@@H](C)c1ccccn1 ZINC000063191722 176027474 /nfs/dbraw/zinc/02/74/74/176027474.db2.gz FNUQUNQRAJDRRO-MBNYWOFBSA-N 2 2 233.359 2.344 10 0 BEAELP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1[C@@H](C)c1ccccn1 ZINC000063191722 176027475 /nfs/dbraw/zinc/02/74/75/176027475.db2.gz FNUQUNQRAJDRRO-MBNYWOFBSA-N 2 2 233.359 2.344 10 0 BEAELP C[C@@H]1CC[N@@H+](C2(C)CCCCC2)CC[NH2+]1 ZINC000045046690 176166953 /nfs/dbraw/zinc/16/69/53/176166953.db2.gz SNFMHMRMCCDLTH-GFCCVEGCSA-N 2 2 210.365 2.393 10 0 BEAELP C[C@@H]1CC[N@H+](C2(C)CCCCC2)CC[NH2+]1 ZINC000045046690 176166956 /nfs/dbraw/zinc/16/69/56/176166956.db2.gz SNFMHMRMCCDLTH-GFCCVEGCSA-N 2 2 210.365 2.393 10 0 BEAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccccc2F)C1 ZINC000044372456 176180550 /nfs/dbraw/zinc/18/05/50/176180550.db2.gz ROEIWNGZCARBDZ-MFKMUULPSA-N 2 2 222.307 2.167 10 0 BEAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccccc2F)C1 ZINC000044372456 176180551 /nfs/dbraw/zinc/18/05/51/176180551.db2.gz ROEIWNGZCARBDZ-MFKMUULPSA-N 2 2 222.307 2.167 10 0 BEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000340451416 176271871 /nfs/dbraw/zinc/27/18/71/176271871.db2.gz MKAOWBFJHXWFOY-NZYIEUEFSA-N 2 2 248.414 2.351 10 0 BEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000340451416 176271874 /nfs/dbraw/zinc/27/18/74/176271874.db2.gz MKAOWBFJHXWFOY-NZYIEUEFSA-N 2 2 248.414 2.351 10 0 BEAELP C[C@H](c1ccc(O)cc1)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000104358651 177034998 /nfs/dbraw/zinc/03/49/98/177034998.db2.gz UPXGGXKMMGXPTI-DGCLKSJQSA-N 2 2 234.343 2.137 10 0 BEAELP C[C@H](c1ccc(O)cc1)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000104358651 177034999 /nfs/dbraw/zinc/03/49/99/177034999.db2.gz UPXGGXKMMGXPTI-DGCLKSJQSA-N 2 2 234.343 2.137 10 0 BEAELP C[C@H](c1cccs1)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000043501414 177049063 /nfs/dbraw/zinc/04/90/63/177049063.db2.gz QYMSWJMQVBNDBN-GHMZBOCLSA-N 2 2 224.373 2.493 10 0 BEAELP C[C@H](c1cccs1)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000043501414 177049065 /nfs/dbraw/zinc/04/90/65/177049065.db2.gz QYMSWJMQVBNDBN-GHMZBOCLSA-N 2 2 224.373 2.493 10 0 BEAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@H+](C)Cc1cccnc1 ZINC000036770989 177090149 /nfs/dbraw/zinc/09/01/49/177090149.db2.gz SOCLIGCQEAXWNE-DZGCQCFKSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)Cc1cccnc1 ZINC000036770989 177090152 /nfs/dbraw/zinc/09/01/52/177090152.db2.gz SOCLIGCQEAXWNE-DZGCQCFKSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cccs2)C1 ZINC000022213927 177103424 /nfs/dbraw/zinc/10/34/24/177103424.db2.gz CIMDKKWFQPJLLL-QWRGUYRKSA-N 2 2 224.373 2.480 10 0 BEAELP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2cccs2)C1 ZINC000022213927 177103425 /nfs/dbraw/zinc/10/34/25/177103425.db2.gz CIMDKKWFQPJLLL-QWRGUYRKSA-N 2 2 224.373 2.480 10 0 BEAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccccc1F ZINC000037910324 177111613 /nfs/dbraw/zinc/11/16/13/177111613.db2.gz DRDGZLNSKHLKEX-GWCFXTLKSA-N 2 2 222.307 2.310 10 0 BEAELP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCC[C@H](C)C2)C[C@H](C)O1 ZINC000019430730 177127441 /nfs/dbraw/zinc/12/74/41/177127441.db2.gz STCRXWMGPHTPHX-IGQOVBAYSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCC[C@H](C)C2)C[C@H](C)O1 ZINC000019430730 177127442 /nfs/dbraw/zinc/12/74/42/177127442.db2.gz STCRXWMGPHTPHX-IGQOVBAYSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@H]1CC[N@@H+](C2CCCCCC2)CC[NH2+]1 ZINC000049661878 177157757 /nfs/dbraw/zinc/15/77/57/177157757.db2.gz WGEUOLJARQZQQD-LBPRGKRZSA-N 2 2 210.365 2.393 10 0 BEAELP C[C@H]1CC[N@H+](C2CCCCCC2)CC[NH2+]1 ZINC000049661878 177157758 /nfs/dbraw/zinc/15/77/58/177157758.db2.gz WGEUOLJARQZQQD-LBPRGKRZSA-N 2 2 210.365 2.393 10 0 BEAELP C[C@H]1CC[N@H+](Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000235667207 177163081 /nfs/dbraw/zinc/16/30/81/177163081.db2.gz GWTNWVVODVGPJG-SMDDNHRTSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000235667207 177163083 /nfs/dbraw/zinc/16/30/83/177163083.db2.gz GWTNWVVODVGPJG-SMDDNHRTSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@H]1CC[N@H+](Cc2cccs2)[C@@H](C[NH3+])C1 ZINC000235612966 177164916 /nfs/dbraw/zinc/16/49/16/177164916.db2.gz PSQDEERQIOFTLM-WDEREUQCSA-N 2 2 224.373 2.307 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2cccs2)[C@@H](C[NH3+])C1 ZINC000235612966 177164917 /nfs/dbraw/zinc/16/49/17/177164917.db2.gz PSQDEERQIOFTLM-WDEREUQCSA-N 2 2 224.373 2.307 10 0 BEAELP C[C@H]1CC[N@H+](Cc2ccccc2F)CC[NH2+]1 ZINC000049661417 177165694 /nfs/dbraw/zinc/16/56/94/177165694.db2.gz KLKNALFALUEODU-NSHDSACASA-N 2 2 222.307 2.010 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2ccccc2F)CC[NH2+]1 ZINC000049661417 177165696 /nfs/dbraw/zinc/16/56/96/177165696.db2.gz KLKNALFALUEODU-NSHDSACASA-N 2 2 222.307 2.010 10 0 BEAELP C[C@H]1C[N@@H+](C2(C[NH3+])CCCCCCC2)CCO1 ZINC000019437576 177240390 /nfs/dbraw/zinc/24/03/90/177240390.db2.gz NLTHMPGYQRCJKV-ZDUSSCGKSA-N 2 2 240.391 2.149 10 0 BEAELP C[C@H]1C[N@H+](C2(C[NH3+])CCCCCCC2)CCO1 ZINC000019437576 177240391 /nfs/dbraw/zinc/24/03/91/177240391.db2.gz NLTHMPGYQRCJKV-ZDUSSCGKSA-N 2 2 240.391 2.149 10 0 BEAELP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CCS1 ZINC000180041382 177265011 /nfs/dbraw/zinc/26/50/11/177265011.db2.gz ARWDLLMJKPGUNA-NSHDSACASA-N 2 2 247.367 2.272 10 0 BEAELP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CCS1 ZINC000180041382 177265012 /nfs/dbraw/zinc/26/50/12/177265012.db2.gz ARWDLLMJKPGUNA-NSHDSACASA-N 2 2 247.367 2.272 10 0 BEAELP C[C@H]1C[C@H](C)C[NH+](C2(C[NH3+])CCSCC2)C1 ZINC000042334932 177357636 /nfs/dbraw/zinc/35/76/36/177357636.db2.gz KKYQCKGOMAFVQP-RYUDHWBXSA-N 2 2 242.432 2.189 10 0 BEAELP C[C@H]1C[C@H](C)C[NH+]([C@@H](C[NH3+])c2ccncc2)C1 ZINC000032021673 177358608 /nfs/dbraw/zinc/35/86/08/177358608.db2.gz YUWLNNQEMAPTNM-OBJOEFQTSA-N 2 2 233.359 2.059 10 0 BEAELP C[C@H](C[NH3+])[N@H+](C)C[C@H]1CCCCC1(F)F ZINC000322372955 487643253 /nfs/dbraw/zinc/64/32/53/487643253.db2.gz BADGURUPSTXRLK-NXEZZACHSA-N 2 2 220.307 2.091 10 0 BEAELP C[C@H](C[NH3+])[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000322372955 487643257 /nfs/dbraw/zinc/64/32/57/487643257.db2.gz BADGURUPSTXRLK-NXEZZACHSA-N 2 2 220.307 2.091 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2cccs2)C1 ZINC000328367615 487670494 /nfs/dbraw/zinc/67/04/94/487670494.db2.gz RIIGIGGMUQYKGQ-NEPJUHHUSA-N 2 2 238.400 2.363 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cccs2)C1 ZINC000328367615 487670499 /nfs/dbraw/zinc/67/04/99/487670499.db2.gz RIIGIGGMUQYKGQ-NEPJUHHUSA-N 2 2 238.400 2.363 10 0 BEAELP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000401795095 487832071 /nfs/dbraw/zinc/83/20/71/487832071.db2.gz YHIPBHHSVYZHFQ-OUCADQQQSA-N 2 2 246.354 2.098 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000227504084 487962040 /nfs/dbraw/zinc/96/20/40/487962040.db2.gz JTOHFWFQBVOXBU-YNEHKIRRSA-N 2 2 244.448 2.446 10 0 BEAELP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000380607920 487480967 /nfs/dbraw/zinc/48/09/67/487480967.db2.gz JFMXPWBBAOLNJY-SWLSCSKDSA-N 2 2 248.370 2.397 10 0 BEAELP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000380607920 487480969 /nfs/dbraw/zinc/48/09/69/487480969.db2.gz JFMXPWBBAOLNJY-SWLSCSKDSA-N 2 2 248.370 2.397 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000381706756 487521029 /nfs/dbraw/zinc/52/10/29/487521029.db2.gz JMRVHPFGYYEIFG-YNEHKIRRSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000381706756 487521033 /nfs/dbraw/zinc/52/10/33/487521033.db2.gz JMRVHPFGYYEIFG-YNEHKIRRSA-N 2 2 222.376 2.249 10 0 BEAELP Cc1cc[nH+]cc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128038195 490568833 /nfs/dbraw/zinc/56/88/33/490568833.db2.gz MRTZNCSTGMNMGI-NEPJUHHUSA-N 2 2 219.332 2.285 10 0 BEAELP Cc1cc[nH+]cc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128038195 490568840 /nfs/dbraw/zinc/56/88/40/490568840.db2.gz MRTZNCSTGMNMGI-NEPJUHHUSA-N 2 2 219.332 2.285 10 0 BEAELP CCC[C@H](C)C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000309090157 491144541 /nfs/dbraw/zinc/14/45/41/491144541.db2.gz BWDRROSVBZHVQW-XQQFMLRXSA-N 2 2 212.381 2.352 10 0 BEAELP CCC[C@H](C)C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000309090157 491144542 /nfs/dbraw/zinc/14/45/42/491144542.db2.gz BWDRROSVBZHVQW-XQQFMLRXSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cccc(C)[nH+]2)C1 ZINC000309412598 491148853 /nfs/dbraw/zinc/14/88/53/491148853.db2.gz CATWNURORWCIFD-PWSUYJOCSA-N 2 2 219.332 2.142 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H](Nc2cccc(C)[nH+]2)C1 ZINC000309412598 491148854 /nfs/dbraw/zinc/14/88/54/491148854.db2.gz CATWNURORWCIFD-PWSUYJOCSA-N 2 2 219.332 2.142 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H](Nc2cccc(C)[nH+]2)C1 ZINC000309412599 491148892 /nfs/dbraw/zinc/14/88/92/491148892.db2.gz CATWNURORWCIFD-ZYHUDNBSSA-N 2 2 219.332 2.142 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H](Nc2cccc(C)[nH+]2)C1 ZINC000309412599 491148893 /nfs/dbraw/zinc/14/88/93/491148893.db2.gz CATWNURORWCIFD-ZYHUDNBSSA-N 2 2 219.332 2.142 10 0 BEAELP C[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538319 536362634 /nfs/dbraw/zinc/36/26/34/536362634.db2.gz ZQYWUYRWQXWURQ-NWDGAFQWSA-N 2 2 246.345 2.496 10 0 BEAELP C[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538319 536362639 /nfs/dbraw/zinc/36/26/39/536362639.db2.gz ZQYWUYRWQXWURQ-NWDGAFQWSA-N 2 2 246.345 2.496 10 0 BEAELP C[NH2+][C@@H]1CCN(c2ccc([NH+](C)C)cc2)[C@@H](C)C1 ZINC000049711486 536378708 /nfs/dbraw/zinc/37/87/08/536378708.db2.gz ITUSKGBASKHSAU-QWHCGFSZSA-N 2 2 247.386 2.329 10 0 BEAELP C[C@H](C1CC1)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757132268 582506457 /nfs/dbraw/zinc/50/64/57/582506457.db2.gz QYZFLWZPVYOHKN-DOMZBBRYSA-N 2 2 234.387 2.345 10 0 BEAELP C[C@H](C1CC1)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757132268 582506458 /nfs/dbraw/zinc/50/64/58/582506458.db2.gz QYZFLWZPVYOHKN-DOMZBBRYSA-N 2 2 234.387 2.345 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396662729 583087869 /nfs/dbraw/zinc/08/78/69/583087869.db2.gz HJADJLLIWJBNFI-QNWHQSFQSA-N 2 2 210.365 2.105 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396662729 583087870 /nfs/dbraw/zinc/08/78/70/583087870.db2.gz HJADJLLIWJBNFI-QNWHQSFQSA-N 2 2 210.365 2.105 10 0 BEAELP CC(=O)c1ccc([C@@H]2CC[C@@H]([NH3+])[C@@H](C)[NH2+]2)cc1 ZINC000757213319 586439363 /nfs/dbraw/zinc/43/93/63/586439363.db2.gz JKLQUKCCCKSKJQ-FZQKWOKYSA-N 2 2 232.327 2.030 10 0 BEAELP C[C@@H]1CC[NH2+][C@H](c2cccc3cc[nH]c32)[C@H]1[NH3+] ZINC000757219378 586442239 /nfs/dbraw/zinc/44/22/39/586442239.db2.gz WYNNQICSHAZCHA-LJWDBELGSA-N 2 2 229.327 2.166 10 0 BEAELP C[NH+](C)C(C)(C)C[NH2+]CCc1ccccc1 ZINC000020125708 590076144 /nfs/dbraw/zinc/07/61/44/590076144.db2.gz ZJNZODYLSDDRHE-UHFFFAOYSA-N 2 2 220.360 2.159 10 0 BEAELP [NH3+]CC[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000125508626 634524208 /nfs/dbraw/zinc/52/42/08/634524208.db2.gz MPJZWXWTRYPMCH-GFCCVEGCSA-N 2 2 241.338 2.410 10 0 BEAELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cncc2ccccc21 ZINC000310747214 632934015 /nfs/dbraw/zinc/93/40/15/632934015.db2.gz HHAJDFPASKXRRY-XHDPSFHLSA-N 2 2 241.338 2.156 10 0 BEAELP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1cncc2ccccc21 ZINC000310747214 632934017 /nfs/dbraw/zinc/93/40/17/632934017.db2.gz HHAJDFPASKXRRY-XHDPSFHLSA-N 2 2 241.338 2.156 10 0 BEAELP C[NH+](C)C1(C[NH2+]CCc2ccccc2)CCC1 ZINC000097928327 642641587 /nfs/dbraw/zinc/64/15/87/642641587.db2.gz KBRRTMRCAHBMNB-UHFFFAOYSA-N 2 2 232.371 2.303 10 0 BEAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCC=CO1 ZINC000050269094 643673054 /nfs/dbraw/zinc/67/30/54/643673054.db2.gz BOEVCUFPFMFZNW-KBPBESRZSA-N 2 2 240.391 2.245 10 0 BEAELP CCC[C@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709754605 712217316 /nfs/dbraw/zinc/21/73/16/712217316.db2.gz KMNUBQMZVOKQIA-VIFPVBQESA-N 2 2 239.388 2.149 10 0 BEAELP CCC[C@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709754605 712217318 /nfs/dbraw/zinc/21/73/18/712217318.db2.gz KMNUBQMZVOKQIA-VIFPVBQESA-N 2 2 239.388 2.149 10 0 BEAELP c1cn(CCCCNc2cc[nH+]cc2)c[nH+]1 ZINC000045108319 1171435369 /nfs/dbraw/zinc/43/53/69/1171435369.db2.gz GCMABUBOIKTXJU-UHFFFAOYSA-N 2 2 216.288 2.170 10 0 BEAELP c1c[nH+]c([C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000616611801 349462471 /nfs/dbraw/zinc/46/24/71/349462471.db2.gz RPNLQWCUFVHIAL-CYBMUJFWSA-N 2 2 227.311 2.399 10 0 BEAELP c1c[nH+]c([C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000616611801 349462474 /nfs/dbraw/zinc/46/24/74/349462474.db2.gz RPNLQWCUFVHIAL-CYBMUJFWSA-N 2 2 227.311 2.399 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000378693994 346809528 /nfs/dbraw/zinc/80/95/28/346809528.db2.gz KDASVDATUQJTTP-OXHZDVMGSA-N 2 2 222.376 2.247 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000378693994 346809530 /nfs/dbraw/zinc/80/95/30/346809530.db2.gz KDASVDATUQJTTP-OXHZDVMGSA-N 2 2 222.376 2.247 10 0 BEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[NH+]1CCCC1 ZINC000050578059 178092328 /nfs/dbraw/zinc/09/23/28/178092328.db2.gz QMBRPZFSQFQZNE-ZDUSSCGKSA-N 2 2 222.307 2.230 10 0 BEAELP CCC(CC)C[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336756192 168362651 /nfs/dbraw/zinc/36/26/51/168362651.db2.gz IPMVIYZOEHFVLJ-DGCLKSJQSA-N 2 2 212.381 2.352 10 0 BEAELP CCC(CC)C[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336756192 168362653 /nfs/dbraw/zinc/36/26/53/168362653.db2.gz IPMVIYZOEHFVLJ-DGCLKSJQSA-N 2 2 212.381 2.352 10 0 BEAELP Cc1cc2ccccc2[nH+]c1NC1[C@H]2C[NH2+]C[C@@H]12 ZINC000063106268 178298648 /nfs/dbraw/zinc/29/86/48/178298648.db2.gz BXORSWMHNFURMJ-ONXXMXGDSA-N 2 2 239.322 2.173 10 0 BEAELP Cc1cc2[nH]c([C@H](C)C[NH3+])[nH+]c2cc1C ZINC000054334386 178303638 /nfs/dbraw/zinc/30/36/38/178303638.db2.gz PQGWTTMQFMAMOX-SECBINFHSA-N 2 2 203.289 2.242 10 0 BEAELP Cc1cc2[nH+]cn([C@H](C)C[NH3+])c2cc1C ZINC000043513994 178304783 /nfs/dbraw/zinc/30/47/83/178304783.db2.gz GLJIVELIZIMWLS-SNVBAGLBSA-N 2 2 203.289 2.173 10 0 BEAELP CCC(CC)C[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000040502110 168365273 /nfs/dbraw/zinc/36/52/73/168365273.db2.gz GUNINPOETZARDY-ZDUSSCGKSA-N 2 2 212.381 2.497 10 0 BEAELP CCC(CC)C[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000040502110 168365275 /nfs/dbraw/zinc/36/52/75/168365275.db2.gz GUNINPOETZARDY-ZDUSSCGKSA-N 2 2 212.381 2.497 10 0 BEAELP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)C(C)C ZINC000040502848 343999316 /nfs/dbraw/zinc/99/93/16/343999316.db2.gz ODMVJBNCHUGKBC-CHWSQXEVSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)C(C)C ZINC000040502848 343999317 /nfs/dbraw/zinc/99/93/17/343999317.db2.gz ODMVJBNCHUGKBC-CHWSQXEVSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C1([C@@H]([NH3+])c2ccccc2)CCCC1 ZINC000145919815 342763379 /nfs/dbraw/zinc/76/33/79/342763379.db2.gz ITPILRQRLQJDAJ-LBPRGKRZSA-N 2 2 204.317 2.219 10 0 BEAELP CCC(CC)[NH2+]C[C@@H](C)[NH+]1CCC(OC)CC1 ZINC000053490618 168388962 /nfs/dbraw/zinc/38/89/62/168388962.db2.gz TWDRXVSDNYNZBL-GFCCVEGCSA-N 2 2 242.407 2.264 10 0 BEAELP CCC(CC)[NH2+]C[C@H](C)[N@H+](CCOC)C1CC1 ZINC000053496512 168388232 /nfs/dbraw/zinc/38/82/32/168388232.db2.gz UUYRADGNHXDJGP-LBPRGKRZSA-N 2 2 242.407 2.264 10 0 BEAELP CCC(CC)[NH2+]C[C@H](C)[N@@H+](CCOC)C1CC1 ZINC000053496512 168388234 /nfs/dbraw/zinc/38/82/34/168388234.db2.gz UUYRADGNHXDJGP-LBPRGKRZSA-N 2 2 242.407 2.264 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000381648786 539006001 /nfs/dbraw/zinc/00/60/01/539006001.db2.gz CMJPDNRANLASLN-BLYZHGLHSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000381648786 539006003 /nfs/dbraw/zinc/00/60/03/539006003.db2.gz CMJPDNRANLASLN-BLYZHGLHSA-N 2 2 224.392 2.351 10 0 BEAELP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000381729913 539006630 /nfs/dbraw/zinc/00/66/30/539006630.db2.gz NGXXKIUVMZKPFO-RWMBFGLXSA-N 2 2 228.355 2.199 10 0 BEAELP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000381729913 539006631 /nfs/dbraw/zinc/00/66/31/539006631.db2.gz NGXXKIUVMZKPFO-RWMBFGLXSA-N 2 2 228.355 2.199 10 0 BEAELP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000381729895 539006642 /nfs/dbraw/zinc/00/66/42/539006642.db2.gz NGXXKIUVMZKPFO-FRRDWIJNSA-N 2 2 228.355 2.199 10 0 BEAELP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000381729895 539006643 /nfs/dbraw/zinc/00/66/43/539006643.db2.gz NGXXKIUVMZKPFO-FRRDWIJNSA-N 2 2 228.355 2.199 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)C)C1 ZINC000390433699 539021701 /nfs/dbraw/zinc/02/17/01/539021701.db2.gz QXOGSGYFGZDBJM-BFHYXJOUSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)C)C1 ZINC000390433699 539021702 /nfs/dbraw/zinc/02/17/02/539021702.db2.gz QXOGSGYFGZDBJM-BFHYXJOUSA-N 2 2 224.392 2.495 10 0 BEAELP CSc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000045946343 343013206 /nfs/dbraw/zinc/01/32/06/343013206.db2.gz IEQPRRRLAWHYDT-UHFFFAOYSA-N 2 2 247.367 2.464 10 0 BEAELP CSc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000045946343 343013207 /nfs/dbraw/zinc/01/32/07/343013207.db2.gz IEQPRRRLAWHYDT-UHFFFAOYSA-N 2 2 247.367 2.464 10 0 BEAELP c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000060250578 343297348 /nfs/dbraw/zinc/29/73/48/343297348.db2.gz MEHGZKIWJHTWJU-CQSZACIVSA-N 2 2 227.311 2.330 10 0 BEAELP c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000060250578 343297349 /nfs/dbraw/zinc/29/73/49/343297349.db2.gz MEHGZKIWJHTWJU-CQSZACIVSA-N 2 2 227.311 2.330 10 0 BEAELP C[C@H](C[NH+](C)C)[NH2+]CC1CCC(C)CC1 ZINC000130233172 136372522 /nfs/dbraw/zinc/37/25/22/136372522.db2.gz UUZDNBSCWDJJGG-OTTFEQOBSA-N 2 2 212.381 2.352 10 0 BEAELP C[C@@H]1C[C@]2(CC[N@@H+]1C)[NH2+]CCc1ccsc12 ZINC000712553352 537791755 /nfs/dbraw/zinc/79/17/55/537791755.db2.gz RCSQXFGBYHOGMZ-MFKMUULPSA-N 2 2 236.384 2.203 10 0 BEAELP C[C@@H]1C[C@]2(CC[N@H+]1C)[NH2+]CCc1ccsc12 ZINC000712553352 537791768 /nfs/dbraw/zinc/79/17/68/537791768.db2.gz RCSQXFGBYHOGMZ-MFKMUULPSA-N 2 2 236.384 2.203 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799377 343943308 /nfs/dbraw/zinc/94/33/08/343943308.db2.gz OHWMLHVCDQOEQZ-QWRGUYRKSA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799377 343943311 /nfs/dbraw/zinc/94/33/11/343943311.db2.gz OHWMLHVCDQOEQZ-QWRGUYRKSA-N 2 2 210.346 2.232 10 0 BEAELP CC1(C)CC[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000084231950 344189586 /nfs/dbraw/zinc/18/95/86/344189586.db2.gz PJHDTNJPMKQDGF-CYBMUJFWSA-N 2 2 218.344 2.246 10 0 BEAELP CC1(C)CC[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000084231950 344189588 /nfs/dbraw/zinc/18/95/88/344189588.db2.gz PJHDTNJPMKQDGF-CYBMUJFWSA-N 2 2 218.344 2.246 10 0 BEAELP C([NH+]1CCCCCC1)C12CCC(CC1)[NH2+]2 ZINC000675056879 537849465 /nfs/dbraw/zinc/84/94/65/537849465.db2.gz YDTYQGMKMAZRLZ-UHFFFAOYSA-N 2 2 208.349 2.147 10 0 BEAELP c1coc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000097103954 537910156 /nfs/dbraw/zinc/91/01/56/537910156.db2.gz UNZVSOGFRUOCQF-LBPRGKRZSA-N 2 2 231.299 2.141 10 0 BEAELP c1coc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000097103954 537910161 /nfs/dbraw/zinc/91/01/61/537910161.db2.gz UNZVSOGFRUOCQF-LBPRGKRZSA-N 2 2 231.299 2.141 10 0 BEAELP C[C@@H]1CCCn2cc(C3CC[NH2+]CC3)[nH+]c21 ZINC000258106296 345780244 /nfs/dbraw/zinc/78/02/44/345780244.db2.gz CAHKJVONULZMSY-SNVBAGLBSA-N 2 2 219.332 2.247 10 0 BEAELP CC(C)CC[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000669379440 537979155 /nfs/dbraw/zinc/97/91/55/537979155.db2.gz BPFSVSILYBBKKX-UHFFFAOYSA-N 2 2 241.404 2.340 10 0 BEAELP Fc1c[nH+]ccc1N1CCC2(CC[NH2+]CC2)CC1 ZINC000585681339 346653727 /nfs/dbraw/zinc/65/37/27/346653727.db2.gz NCMKKPXFNRHWCI-UHFFFAOYSA-N 2 2 249.333 2.191 10 0 BEAELP Cc1cccc(N[C@@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000049184146 179153383 /nfs/dbraw/zinc/15/33/83/179153383.db2.gz PKNUMGQHRYBKPD-LBPRGKRZSA-N 2 2 219.332 2.286 10 0 BEAELP Cc1cccc(OCC[C@@H](C[NH3+])[NH+]2CCCC2)c1 ZINC000019664421 179169016 /nfs/dbraw/zinc/16/90/16/179169016.db2.gz OYAVMOPLUPGPSG-AWEZNQCLSA-N 2 2 248.370 2.187 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@@H+]2CC[C@H](C)C2)c1 ZINC000042278865 179199108 /nfs/dbraw/zinc/19/91/08/179199108.db2.gz GYUBDCLMWFRYSC-JSGCOSHPSA-N 2 2 218.344 2.337 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@H+]2CC[C@H](C)C2)c1 ZINC000042278865 179199109 /nfs/dbraw/zinc/19/91/09/179199109.db2.gz GYUBDCLMWFRYSC-JSGCOSHPSA-N 2 2 218.344 2.337 10 0 BEAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](C)C2CC2)c1 ZINC000042965923 179203167 /nfs/dbraw/zinc/20/31/67/179203167.db2.gz UUAIIOZRZXDUCU-RISCZKNCSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)C2CC2)c1 ZINC000042965923 179203169 /nfs/dbraw/zinc/20/31/69/179203169.db2.gz UUAIIOZRZXDUCU-RISCZKNCSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1ccccc1C[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000043501441 179268804 /nfs/dbraw/zinc/26/88/04/179268804.db2.gz MMYQYLDEEQGSMC-CQSZACIVSA-N 2 2 218.344 2.179 10 0 BEAELP Cc1ccccc1C[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000043501441 179268806 /nfs/dbraw/zinc/26/88/06/179268806.db2.gz MMYQYLDEEQGSMC-CQSZACIVSA-N 2 2 218.344 2.179 10 0 BEAELP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000043034382 179328282 /nfs/dbraw/zinc/32/82/82/179328282.db2.gz LNZZAWSMPRXVOB-BXUZGUMPSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000043034382 179328284 /nfs/dbraw/zinc/32/82/84/179328284.db2.gz LNZZAWSMPRXVOB-BXUZGUMPSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)C1CC1 ZINC000037080689 179342647 /nfs/dbraw/zinc/34/26/47/179342647.db2.gz KYNQXHSOSIRBRM-ZDUSSCGKSA-N 2 2 204.317 2.089 10 0 BEAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)C1CC1 ZINC000037080689 179342649 /nfs/dbraw/zinc/34/26/49/179342649.db2.gz KYNQXHSOSIRBRM-ZDUSSCGKSA-N 2 2 204.317 2.089 10 0 BEAELP C[C@H]1CC[N@@H+]([C@H](C[NH3+])c2cccs2)C1 ZINC000251813299 362928362 /nfs/dbraw/zinc/92/83/62/362928362.db2.gz YZGBRMQWPMUJNZ-VHSXEESVSA-N 2 2 210.346 2.090 10 0 BEAELP C[C@H]1CC[N@H+]([C@H](C[NH3+])c2cccs2)C1 ZINC000251813299 362928370 /nfs/dbraw/zinc/92/83/70/362928370.db2.gz YZGBRMQWPMUJNZ-VHSXEESVSA-N 2 2 210.346 2.090 10 0 BEAELP c1cn(CCCC[NH2+][C@H]2CCCSC2)c[nH+]1 ZINC000061589387 349376207 /nfs/dbraw/zinc/37/62/07/349376207.db2.gz ATAXUWOMYMXLQM-LBPRGKRZSA-N 2 2 239.388 2.149 10 0 BEAELP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)C2)cs1 ZINC000037484835 180049694 /nfs/dbraw/zinc/04/96/94/180049694.db2.gz PYBXFKUWBXCRPY-ONGXEEELSA-N 2 2 239.388 2.054 10 0 BEAELP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)C2)cs1 ZINC000037484835 180049697 /nfs/dbraw/zinc/04/96/97/180049697.db2.gz PYBXFKUWBXCRPY-ONGXEEELSA-N 2 2 239.388 2.054 10 0 BEAELP Cc1[nH]c(C[NH2+]Cc2ccc(F)c(F)c2)c[nH+]1 ZINC000054822507 180152013 /nfs/dbraw/zinc/15/20/13/180152013.db2.gz BMGVRLRBSHIREJ-UHFFFAOYSA-N 2 2 237.253 2.286 10 0 BEAELP Cc1[nH+]ccn1CCNc1ccc([NH+](C)C)cc1 ZINC000049330162 180261506 /nfs/dbraw/zinc/26/15/06/180261506.db2.gz RUFCVPAUGPMXOX-UHFFFAOYSA-N 2 2 244.342 2.370 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccccc2F)CC1 ZINC000616602481 350791645 /nfs/dbraw/zinc/79/16/45/350791645.db2.gz XZFSPESMXZOBBC-GFCCVEGCSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccccc2F)CC1 ZINC000616602481 350791647 /nfs/dbraw/zinc/79/16/47/350791647.db2.gz XZFSPESMXZOBBC-GFCCVEGCSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1cnc2ccccc2c1 ZINC000616608259 350804324 /nfs/dbraw/zinc/80/43/24/350804324.db2.gz QPQFMDLSBUUSAJ-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H]1c1cnc2ccccc2c1 ZINC000616608259 350804327 /nfs/dbraw/zinc/80/43/27/350804327.db2.gz QPQFMDLSBUUSAJ-HNNXBMFYSA-N 2 2 241.338 2.330 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2C1 ZINC000020073089 351895434 /nfs/dbraw/zinc/89/54/34/351895434.db2.gz HQDIRAZAGKAUPD-OAHLLOKOSA-N 2 2 232.371 2.418 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@H+]1CCc2ccccc2C1 ZINC000020073089 351895442 /nfs/dbraw/zinc/89/54/42/351895442.db2.gz HQDIRAZAGKAUPD-OAHLLOKOSA-N 2 2 232.371 2.418 10 0 BEAELP CC(C)[N@H+](CC1CC1)[C@H]1CCCC[NH2+]C1 ZINC000054135473 188176423 /nfs/dbraw/zinc/17/64/23/188176423.db2.gz DKJDPFGWKMORTN-ZDUSSCGKSA-N 2 2 210.365 2.249 10 0 BEAELP CC(C)[N@@H+](CC1CC1)[C@H]1CCCC[NH2+]C1 ZINC000054135473 188176424 /nfs/dbraw/zinc/17/64/24/188176424.db2.gz DKJDPFGWKMORTN-ZDUSSCGKSA-N 2 2 210.365 2.249 10 0 BEAELP CS[C@H]1CCCC[N@H+](CC[NH2+]C(C)C)C1 ZINC000191590162 355737178 /nfs/dbraw/zinc/73/71/78/355737178.db2.gz MXTJQDVITBPUMR-LBPRGKRZSA-N 2 2 230.421 2.202 10 0 BEAELP CS[C@H]1CCCC[N@@H+](CC[NH2+]C(C)C)C1 ZINC000191590162 355737183 /nfs/dbraw/zinc/73/71/83/355737183.db2.gz MXTJQDVITBPUMR-LBPRGKRZSA-N 2 2 230.421 2.202 10 0 BEAELP CCC[NH2+]Cc1nc(C[NH+]2CCCC2)cs1 ZINC000052377259 538470459 /nfs/dbraw/zinc/47/04/59/538470459.db2.gz MPYBSCCTJOPODH-UHFFFAOYSA-N 2 2 239.388 2.239 10 0 BEAELP CCC1(C)CC[NH+]([C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC000685948677 538891382 /nfs/dbraw/zinc/89/13/82/538891382.db2.gz SVDTUHWELQOJEN-VXGBXAGGSA-N 2 2 228.355 2.199 10 0 BEAELP CC(C)[NH2+]CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000191568399 357785369 /nfs/dbraw/zinc/78/53/69/357785369.db2.gz CSRLTBASIBZPKF-HNNXBMFYSA-N 2 2 247.386 2.171 10 0 BEAELP CC(C)[NH2+]CC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000191568399 357785370 /nfs/dbraw/zinc/78/53/70/357785370.db2.gz CSRLTBASIBZPKF-HNNXBMFYSA-N 2 2 247.386 2.171 10 0 BEAELP Cc1ccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000584457369 357974075 /nfs/dbraw/zinc/97/40/75/357974075.db2.gz RDYMRTLKXDPAKL-NWDGAFQWSA-N 2 2 219.332 2.190 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccsc2C)C1 ZINC000389167590 358368202 /nfs/dbraw/zinc/36/82/02/358368202.db2.gz MWVIJVUITHNPDZ-GFCCVEGCSA-N 2 2 224.373 2.240 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccsc2C)C1 ZINC000389167590 358368205 /nfs/dbraw/zinc/36/82/05/358368205.db2.gz MWVIJVUITHNPDZ-GFCCVEGCSA-N 2 2 224.373 2.240 10 0 BEAELP CC[N@@H+]1CCC[C@H](Nc2cc(C)cc[nH+]2)C1 ZINC000043561577 358539936 /nfs/dbraw/zinc/53/99/36/358539936.db2.gz YHSJDRKIGFCHLR-LBPRGKRZSA-N 2 2 219.332 2.286 10 0 BEAELP CC[N@H+]1CCC[C@H](Nc2cc(C)cc[nH+]2)C1 ZINC000043561577 358539937 /nfs/dbraw/zinc/53/99/37/358539937.db2.gz YHSJDRKIGFCHLR-LBPRGKRZSA-N 2 2 219.332 2.286 10 0 BEAELP CC[N@@H+]1CCC[C@@H](Nc2cc(C)cc[nH+]2)C1 ZINC000043561578 358540244 /nfs/dbraw/zinc/54/02/44/358540244.db2.gz YHSJDRKIGFCHLR-GFCCVEGCSA-N 2 2 219.332 2.286 10 0 BEAELP CC[N@H+]1CCC[C@@H](Nc2cc(C)cc[nH+]2)C1 ZINC000043561578 358540245 /nfs/dbraw/zinc/54/02/45/358540245.db2.gz YHSJDRKIGFCHLR-GFCCVEGCSA-N 2 2 219.332 2.286 10 0 BEAELP C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000132514848 491136465 /nfs/dbraw/zinc/13/64/65/491136465.db2.gz FPMXKPVTZMJGGO-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000132514848 491136466 /nfs/dbraw/zinc/13/64/66/491136466.db2.gz FPMXKPVTZMJGGO-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP CC(C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000053655470 358837479 /nfs/dbraw/zinc/83/74/79/358837479.db2.gz RYSCLERCUYSEES-HNNXBMFYSA-N 2 2 247.386 2.292 10 0 BEAELP CC(C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000053655470 358837484 /nfs/dbraw/zinc/83/74/84/358837484.db2.gz RYSCLERCUYSEES-HNNXBMFYSA-N 2 2 247.386 2.292 10 0 BEAELP C[C@@H]1CC[N@H+](Cc2cc[nH]c2)C[C@H]1n1cc[nH+]c1 ZINC000246435456 359084264 /nfs/dbraw/zinc/08/42/64/359084264.db2.gz NDKNSLMEBJESOY-TZMCWYRMSA-N 2 2 244.342 2.294 10 0 BEAELP C[N@H+](Cc1ccccc1)[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000306229845 359364181 /nfs/dbraw/zinc/36/41/81/359364181.db2.gz JYFFRNSNZOWEBP-UVPYHEFZSA-N 2 2 242.366 2.115 10 0 BEAELP C[N@@H+](Cc1ccccc1)[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000306229845 359364183 /nfs/dbraw/zinc/36/41/83/359364183.db2.gz JYFFRNSNZOWEBP-UVPYHEFZSA-N 2 2 242.366 2.115 10 0 BEAELP CCC[C@H](C)C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000309090156 491144517 /nfs/dbraw/zinc/14/45/17/491144517.db2.gz BWDRROSVBZHVQW-RWMBFGLXSA-N 2 2 212.381 2.352 10 0 BEAELP CCC[C@H](C)C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309090156 491144518 /nfs/dbraw/zinc/14/45/18/491144518.db2.gz BWDRROSVBZHVQW-RWMBFGLXSA-N 2 2 212.381 2.352 10 0 BEAELP Cc1ccsc1[C@@H]1[C@H]([NH3+])CCC[N@H+]1C ZINC000069798597 360556992 /nfs/dbraw/zinc/55/69/92/360556992.db2.gz YEJWTMZVXQDRQE-ZJUUUORDSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccsc1[C@@H]1[C@H]([NH3+])CCC[N@@H+]1C ZINC000069798597 360556997 /nfs/dbraw/zinc/55/69/97/360556997.db2.gz YEJWTMZVXQDRQE-ZJUUUORDSA-N 2 2 210.346 2.151 10 0 BEAELP [NH3+]C1(C[NH2+]Cc2ccco2)CCCCC1 ZINC000040407664 181332054 /nfs/dbraw/zinc/33/20/54/181332054.db2.gz ODPCHZJXUHGQOF-UHFFFAOYSA-N 2 2 208.305 2.031 10 0 BEAELP [NH3+]C[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000630556549 364257547 /nfs/dbraw/zinc/25/75/47/364257547.db2.gz HXKOHNKFHWGQFN-XYPYZODXSA-N 2 2 205.305 2.011 10 0 BEAELP [NH3+]CC1([NH+]2CCCCCC2)CCSCC1 ZINC000042334912 181360160 /nfs/dbraw/zinc/36/01/60/181360160.db2.gz CARASQWANALWEE-UHFFFAOYSA-N 2 2 228.405 2.087 10 0 BEAELP [NH3+]CCCc1[nH]cc(-c2cccc(F)c2)[nH+]1 ZINC000036876246 181387189 /nfs/dbraw/zinc/38/71/89/181387189.db2.gz NUTIRPXRYXWILG-UHFFFAOYSA-N 2 2 219.263 2.107 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000581595158 367621861 /nfs/dbraw/zinc/62/18/61/367621861.db2.gz SDBAULYHZFCJTH-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000581595158 367621865 /nfs/dbraw/zinc/62/18/65/367621865.db2.gz SDBAULYHZFCJTH-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP Cc1ccsc1[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000069637148 373564115 /nfs/dbraw/zinc/56/41/15/373564115.db2.gz POCVEWWMLCNKMB-UWVGGRQHSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccsc1[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC000069637148 373564122 /nfs/dbraw/zinc/56/41/22/373564122.db2.gz POCVEWWMLCNKMB-UWVGGRQHSA-N 2 2 210.346 2.151 10 0 BEAELP CCc1ccc([C@@H]2[C@@H]([NH3+])CC[N@@H+]2C)s1 ZINC000069799059 373807831 /nfs/dbraw/zinc/80/78/31/373807831.db2.gz QGKVGOILMQULDH-ONGXEEELSA-N 2 2 210.346 2.014 10 0 BEAELP CCc1ccc([C@@H]2[C@@H]([NH3+])CC[N@H+]2C)s1 ZINC000069799059 373807832 /nfs/dbraw/zinc/80/78/32/373807832.db2.gz QGKVGOILMQULDH-ONGXEEELSA-N 2 2 210.346 2.014 10 0 BEAELP CCC[N@H+](C)[C@H](C[NH3+])c1cccc(OCC)c1 ZINC000020226205 169088868 /nfs/dbraw/zinc/08/88/68/169088868.db2.gz SGGNGKILTHKGFC-CQSZACIVSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[N@@H+](C)[C@H](C[NH3+])c1cccc(OCC)c1 ZINC000020226205 169088870 /nfs/dbraw/zinc/08/88/70/169088870.db2.gz SGGNGKILTHKGFC-CQSZACIVSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[NH+](CCC)C[C@@H]([NH3+])[C@@H](C)CC ZINC000039141050 169147093 /nfs/dbraw/zinc/14/70/93/169147093.db2.gz YJLWEGPFWMDFOF-NWDGAFQWSA-N 2 2 200.370 2.482 10 0 BEAELP c1[nH]c(CC2CC[NH2+]CC2)[nH+]c1-c1ccncc1 ZINC000038076110 183329258 /nfs/dbraw/zinc/32/92/58/183329258.db2.gz UPWOGAHUPWRKOR-UHFFFAOYSA-N 2 2 242.326 2.014 10 0 BEAELP CCC[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186705 169261216 /nfs/dbraw/zinc/26/12/16/169261216.db2.gz HGLOSMHQHOOOIR-UHFFFAOYSA-N 2 2 217.316 2.344 10 0 BEAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000040671050 183394198 /nfs/dbraw/zinc/39/41/98/183394198.db2.gz JDHOKEGPILAYGT-HNNXBMFYSA-N 2 2 230.355 2.055 10 0 BEAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000040671050 183394200 /nfs/dbraw/zinc/39/42/00/183394200.db2.gz JDHOKEGPILAYGT-HNNXBMFYSA-N 2 2 230.355 2.055 10 0 BEAELP CCC[NH2+][C@@H](C[NH3+])c1ccccc1OC(F)F ZINC000050270582 169278877 /nfs/dbraw/zinc/27/88/77/169278877.db2.gz VPTDXHZZYWWFQT-JTQLQIEISA-N 2 2 244.285 2.287 10 0 BEAELP CCCO[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]2)C1 ZINC000042425471 169312957 /nfs/dbraw/zinc/31/29/57/169312957.db2.gz UOVLKWRGZLBMDH-KBPBESRZSA-N 2 2 240.391 2.020 10 0 BEAELP CCCO[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]2)C1 ZINC000042425471 169312958 /nfs/dbraw/zinc/31/29/58/169312958.db2.gz UOVLKWRGZLBMDH-KBPBESRZSA-N 2 2 240.391 2.020 10 0 BEAELP CCCOc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1 ZINC000019796313 169321187 /nfs/dbraw/zinc/32/11/87/169321187.db2.gz QSULTARRRMULEX-CYBMUJFWSA-N 2 2 222.332 2.037 10 0 BEAELP CCCOc1ccc([C@H]([C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000071547426 169322171 /nfs/dbraw/zinc/32/21/71/169322171.db2.gz XJAFDMNGPANFNY-FZMZJTMJSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[C@@H]([NH3+])C[N@@H+]1CCc2sccc2C1 ZINC000036873513 169393113 /nfs/dbraw/zinc/39/31/13/169393113.db2.gz FJLAAAPAHRIPOD-LLVKDONJSA-N 2 2 224.373 2.234 10 0 BEAELP CCC[C@@H]([NH3+])C[N@H+]1CCc2sccc2C1 ZINC000036873513 169393114 /nfs/dbraw/zinc/39/31/14/169393114.db2.gz FJLAAAPAHRIPOD-LLVKDONJSA-N 2 2 224.373 2.234 10 0 BEAELP CCC[C@@H]([NH3+])[C@H](CC)[N@H+](C)Cc1ccncc1 ZINC000036775873 169393343 /nfs/dbraw/zinc/39/33/43/169393343.db2.gz YTTAZIZEWKPKHJ-KGLIPLIRSA-N 2 2 235.375 2.419 10 0 BEAELP CCC[C@@H]([NH3+])[C@H](CC)[N@@H+](C)Cc1ccncc1 ZINC000036775873 169393345 /nfs/dbraw/zinc/39/33/45/169393345.db2.gz YTTAZIZEWKPKHJ-KGLIPLIRSA-N 2 2 235.375 2.419 10 0 BEAELP CCC[C@@H]([NH3+])c1nc2c(s1)C[N@H+](CC)CC2 ZINC000041059311 169393499 /nfs/dbraw/zinc/39/34/99/169393499.db2.gz FEOBJNUCPSFDOP-SECBINFHSA-N 2 2 239.388 2.321 10 0 BEAELP CCC[C@@H]([NH3+])c1nc2c(s1)C[N@@H+](CC)CC2 ZINC000041059311 169393501 /nfs/dbraw/zinc/39/35/01/169393501.db2.gz FEOBJNUCPSFDOP-SECBINFHSA-N 2 2 239.388 2.321 10 0 BEAELP CCC[C@H](C)C[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000040502508 384271136 /nfs/dbraw/zinc/27/11/36/384271136.db2.gz XVLQHBMVDIJLFA-QWHCGFSZSA-N 2 2 212.381 2.497 10 0 BEAELP CCC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000040502508 384271138 /nfs/dbraw/zinc/27/11/38/384271138.db2.gz XVLQHBMVDIJLFA-QWHCGFSZSA-N 2 2 212.381 2.497 10 0 BEAELP Cc1cc[nH+]c(N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000043561768 384286628 /nfs/dbraw/zinc/28/66/28/384286628.db2.gz ARNYPIIGCUGXJG-GHMZBOCLSA-N 2 2 205.305 2.072 10 0 BEAELP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1ccco1 ZINC000095068311 384329645 /nfs/dbraw/zinc/32/96/45/384329645.db2.gz JCBLCHTZHBNZCG-VWYCJHECSA-N 2 2 208.305 2.200 10 0 BEAELP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1ccccn1 ZINC000095068319 384330776 /nfs/dbraw/zinc/33/07/76/384330776.db2.gz JCWKVGUESLPLOG-MDZLAQPJSA-N 2 2 219.332 2.002 10 0 BEAELP CC[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000181136795 384455121 /nfs/dbraw/zinc/45/51/21/384455121.db2.gz VJBXDPPYYGZHJN-WCQYABFASA-N 2 2 221.348 2.454 10 0 BEAELP CC[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000181136795 384455128 /nfs/dbraw/zinc/45/51/28/384455128.db2.gz VJBXDPPYYGZHJN-WCQYABFASA-N 2 2 221.348 2.454 10 0 BEAELP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(C)C)C2 ZINC000150971483 384524328 /nfs/dbraw/zinc/52/43/28/384524328.db2.gz HQYQECNAJVFHOE-RYUDHWBXSA-N 2 2 221.348 2.140 10 0 BEAELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(C)C)C2 ZINC000150971637 384524595 /nfs/dbraw/zinc/52/45/95/384524595.db2.gz HQYQECNAJVFHOE-VXGBXAGGSA-N 2 2 221.348 2.140 10 0 BEAELP CC[NH+](CC)CC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 ZINC000097922852 384577744 /nfs/dbraw/zinc/57/77/44/384577744.db2.gz LEEFKJRJKNAPOA-XQQFMLRXSA-N 2 2 210.365 2.106 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1ccc(Cl)cc1C(F)(F)F ZINC000044473120 384740990 /nfs/dbraw/zinc/74/09/90/384740990.db2.gz YWHBAZACCIEICA-MRVPVSSYSA-N 2 2 238.640 2.317 10 0 BEAELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]CCC(C)C)C2 ZINC000375511701 384791834 /nfs/dbraw/zinc/79/18/34/384791834.db2.gz PHCYNBDOBNYGQR-GFCCVEGCSA-N 2 2 221.348 2.142 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000398115147 384807643 /nfs/dbraw/zinc/80/76/43/384807643.db2.gz YTJUZXSXDNOCFN-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000398115147 384807648 /nfs/dbraw/zinc/80/76/48/384807648.db2.gz YTJUZXSXDNOCFN-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@H](C[NH2+][C@@H]1CCC[C@H]1CCF)[NH+](C)C ZINC000308890895 385245923 /nfs/dbraw/zinc/24/59/23/385245923.db2.gz XOQAXJKCBLUUEA-GRYCIOLGSA-N 2 2 216.344 2.054 10 0 BEAELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000336326609 385203858 /nfs/dbraw/zinc/20/38/58/385203858.db2.gz SOMJAEVNRGAJIC-ONGXEEELSA-N 2 2 219.332 2.045 10 0 BEAELP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000336326609 385203865 /nfs/dbraw/zinc/20/38/65/385203865.db2.gz SOMJAEVNRGAJIC-ONGXEEELSA-N 2 2 219.332 2.045 10 0 BEAELP c1ccc(NC[C@H]2CC[N@H+](CC3CC3)C2)[nH+]c1 ZINC000156473977 385455385 /nfs/dbraw/zinc/45/53/85/385455385.db2.gz SRUCHPMNIUVJSS-CYBMUJFWSA-N 2 2 231.343 2.225 10 0 BEAELP c1ccc(NC[C@H]2CC[N@@H+](CC3CC3)C2)[nH+]c1 ZINC000156473977 385455392 /nfs/dbraw/zinc/45/53/92/385455392.db2.gz SRUCHPMNIUVJSS-CYBMUJFWSA-N 2 2 231.343 2.225 10 0 BEAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000336770806 385472559 /nfs/dbraw/zinc/47/25/59/385472559.db2.gz VYLRVWBIKZTKCF-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000336770806 385472565 /nfs/dbraw/zinc/47/25/65/385472565.db2.gz VYLRVWBIKZTKCF-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000131406550 386206395 /nfs/dbraw/zinc/20/63/95/386206395.db2.gz PZYRBXOONCHHFD-HNNXBMFYSA-N 2 2 230.355 2.487 10 0 BEAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000131406550 386206401 /nfs/dbraw/zinc/20/64/01/386206401.db2.gz PZYRBXOONCHHFD-HNNXBMFYSA-N 2 2 230.355 2.487 10 0 BEAELP [NH3+]CCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000414696340 386197369 /nfs/dbraw/zinc/19/73/69/386197369.db2.gz QBBDIMBSOXXQLC-SNVBAGLBSA-N 2 2 225.361 2.019 10 0 BEAELP [NH3+]CCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000414696340 386197375 /nfs/dbraw/zinc/19/73/75/386197375.db2.gz QBBDIMBSOXXQLC-SNVBAGLBSA-N 2 2 225.361 2.019 10 0 BEAELP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336782300 386627357 /nfs/dbraw/zinc/62/73/57/386627357.db2.gz XEZSSLDFOGGOPB-QWHCGFSZSA-N 2 2 230.371 2.446 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000228187217 387069324 /nfs/dbraw/zinc/06/93/24/387069324.db2.gz GLDSCMYJYQBWQM-BYNQJWBRSA-N 2 2 222.376 2.390 10 0 BEAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000228187217 387069325 /nfs/dbraw/zinc/06/93/25/387069325.db2.gz GLDSCMYJYQBWQM-BYNQJWBRSA-N 2 2 222.376 2.390 10 0 BEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187718589 387231600 /nfs/dbraw/zinc/23/16/00/387231600.db2.gz AXJMSOYWUUUGGP-LBPRGKRZSA-N 2 2 233.359 2.227 10 0 BEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187718589 387231607 /nfs/dbraw/zinc/23/16/07/387231607.db2.gz AXJMSOYWUUUGGP-LBPRGKRZSA-N 2 2 233.359 2.227 10 0 BEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187718608 387231833 /nfs/dbraw/zinc/23/18/33/387231833.db2.gz AXJMSOYWUUUGGP-GFCCVEGCSA-N 2 2 233.359 2.227 10 0 BEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187718608 387231834 /nfs/dbraw/zinc/23/18/34/387231834.db2.gz AXJMSOYWUUUGGP-GFCCVEGCSA-N 2 2 233.359 2.227 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000321758410 387300783 /nfs/dbraw/zinc/30/07/83/387300783.db2.gz CFNNFXZCXLOTPP-NDBYEHHHSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000321758410 387300787 /nfs/dbraw/zinc/30/07/87/387300787.db2.gz CFNNFXZCXLOTPP-NDBYEHHHSA-N 2 2 210.365 2.105 10 0 BEAELP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1(C)CC1 ZINC000123052111 387641589 /nfs/dbraw/zinc/64/15/89/387641589.db2.gz BCSREFGHBGWBMD-MDZLAQPJSA-N 2 2 222.376 2.247 10 0 BEAELP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1(C)CC1 ZINC000123052111 387641591 /nfs/dbraw/zinc/64/15/91/387641591.db2.gz BCSREFGHBGWBMD-MDZLAQPJSA-N 2 2 222.376 2.247 10 0 BEAELP COC[C@@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C(C)C ZINC000126355330 387679324 /nfs/dbraw/zinc/67/93/24/387679324.db2.gz YRUFFUJZWDHKAW-ZIAGYGMSSA-N 2 2 244.423 2.223 10 0 BEAELP C[C@@H]1CN(c2[nH+]ccc3ccccc32)CC[C@@H]1[NH3+] ZINC000168735829 387908468 /nfs/dbraw/zinc/90/84/68/387908468.db2.gz LKWJWZVEVOQPMU-RISCZKNCSA-N 2 2 241.338 2.408 10 0 BEAELP C[C@H]1CC[N@@H+](C2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000245589309 387964133 /nfs/dbraw/zinc/96/41/33/387964133.db2.gz FZCCVSNSGTYVTE-WCQYABFASA-N 2 2 219.332 2.319 10 0 BEAELP C[C@H]1CC[N@H+](C2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000245589309 387964136 /nfs/dbraw/zinc/96/41/36/387964136.db2.gz FZCCVSNSGTYVTE-WCQYABFASA-N 2 2 219.332 2.319 10 0 BEAELP C[N@@H+]1C[C@H]([NH2+]Cc2ccccc2)CC1(C)C ZINC000575522634 388358618 /nfs/dbraw/zinc/35/86/18/388358618.db2.gz HMEZQTGDICWFDJ-CYBMUJFWSA-N 2 2 218.344 2.259 10 0 BEAELP C[N@H+]1C[C@H]([NH2+]Cc2ccccc2)CC1(C)C ZINC000575522634 388358619 /nfs/dbraw/zinc/35/86/19/388358619.db2.gz HMEZQTGDICWFDJ-CYBMUJFWSA-N 2 2 218.344 2.259 10 0 BEAELP C[C@H]([NH2+][C@H]1CSC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000393852966 388443817 /nfs/dbraw/zinc/44/38/17/388443817.db2.gz OICIYLBQWSZNIZ-DCAQKATOSA-N 2 2 228.405 2.001 10 0 BEAELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000336326607 388456533 /nfs/dbraw/zinc/45/65/33/388456533.db2.gz SOMJAEVNRGAJIC-KOLCDFICSA-N 2 2 219.332 2.045 10 0 BEAELP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000336326607 388456535 /nfs/dbraw/zinc/45/65/35/388456535.db2.gz SOMJAEVNRGAJIC-KOLCDFICSA-N 2 2 219.332 2.045 10 0 BEAELP [NH3+][C@H]1CC[N@@H+]2CCc3ccc(Cl)cc3[C@H]2C1 ZINC000082302542 388586905 /nfs/dbraw/zinc/58/69/05/388586905.db2.gz YAWLIAPGNLVJPM-WCQYABFASA-N 2 2 236.746 2.360 10 0 BEAELP [NH3+][C@H]1CC[N@H+]2CCc3ccc(Cl)cc3[C@H]2C1 ZINC000082302542 388586906 /nfs/dbraw/zinc/58/69/06/388586906.db2.gz YAWLIAPGNLVJPM-WCQYABFASA-N 2 2 236.746 2.360 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000556155906 388869144 /nfs/dbraw/zinc/86/91/44/388869144.db2.gz MJZWVFDKYJOWKA-RQJABVFESA-N 2 2 240.391 2.016 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000556155906 388869147 /nfs/dbraw/zinc/86/91/47/388869147.db2.gz MJZWVFDKYJOWKA-RQJABVFESA-N 2 2 240.391 2.016 10 0 BEAELP Cc1[nH+]c(C(C)C)nc(N2CCC([NH3+])CC2)c1C ZINC000045950968 132299365 /nfs/dbraw/zinc/29/93/65/132299365.db2.gz YAMIVEQYTBGTSG-UHFFFAOYSA-N 2 2 248.374 2.144 10 0 BEAELP c1ccc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)[nH+]c1 ZINC000037918223 132345558 /nfs/dbraw/zinc/34/55/58/132345558.db2.gz SIZZJKLLDMFNHN-OLZOCXBDSA-N 2 2 231.343 2.050 10 0 BEAELP C[C@@H]1C[C@@H](C)CN(c2cc[nH+]c(C[NH3+])c2)C1 ZINC000051396430 132360204 /nfs/dbraw/zinc/36/02/04/132360204.db2.gz BWNPSHPLZLDTET-GHMZBOCLSA-N 2 2 219.332 2.023 10 0 BEAELP CCCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178299128 134306246 /nfs/dbraw/zinc/30/62/46/134306246.db2.gz TZVXVODJWJIYLB-CYBMUJFWSA-N 2 2 221.348 2.456 10 0 BEAELP CCCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178299128 134306247 /nfs/dbraw/zinc/30/62/47/134306247.db2.gz TZVXVODJWJIYLB-CYBMUJFWSA-N 2 2 221.348 2.456 10 0 BEAELP C[C@H](C[NH3+])CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486563 134401263 /nfs/dbraw/zinc/40/12/63/134401263.db2.gz VHCVGVFEDWFSFQ-SSDOTTSWSA-N 2 2 233.237 2.107 10 0 BEAELP Cc1ccc([C@@H]2CCC[N@@H+]2CC[NH3+])s1 ZINC000261530937 135159111 /nfs/dbraw/zinc/15/91/11/135159111.db2.gz DNPIEPLTKDIGFY-JTQLQIEISA-N 2 2 210.346 2.152 10 0 BEAELP Cc1ccc([C@@H]2CCC[N@H+]2CC[NH3+])s1 ZINC000261530937 135159113 /nfs/dbraw/zinc/15/91/13/135159113.db2.gz DNPIEPLTKDIGFY-JTQLQIEISA-N 2 2 210.346 2.152 10 0 BEAELP C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533118 135163854 /nfs/dbraw/zinc/16/38/54/135163854.db2.gz XLVTXGHAYRSXDD-MNOVXSKESA-N 2 2 232.318 2.106 10 0 BEAELP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533118 135163855 /nfs/dbraw/zinc/16/38/55/135163855.db2.gz XLVTXGHAYRSXDD-MNOVXSKESA-N 2 2 232.318 2.106 10 0 BEAELP CC(C)[NH2+]CC[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000375680847 167104400 /nfs/dbraw/zinc/10/44/00/167104400.db2.gz VXMYPODXFZFAQR-ZDUSSCGKSA-N 2 2 224.392 2.497 10 0 BEAELP CC(C)[NH2+]CC[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000375680847 167104403 /nfs/dbraw/zinc/10/44/03/167104403.db2.gz VXMYPODXFZFAQR-ZDUSSCGKSA-N 2 2 224.392 2.497 10 0 BEAELP C[C@@H](C[NH3+])[N@H+](C)C[C@H]1CCCCC1(F)F ZINC000324428386 487609764 /nfs/dbraw/zinc/60/97/64/487609764.db2.gz BADGURUPSTXRLK-VHSXEESVSA-N 2 2 220.307 2.091 10 0 BEAELP C[C@@H](C[NH3+])[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000324428386 487609767 /nfs/dbraw/zinc/60/97/67/487609767.db2.gz BADGURUPSTXRLK-VHSXEESVSA-N 2 2 220.307 2.091 10 0 BEAELP c1cc2cccc(C[NH2+][C@@H]3CC[NH2+]C3)c2s1 ZINC000650740570 410374250 /nfs/dbraw/zinc/37/42/50/410374250.db2.gz MWBKJTSAJDDFJG-GFCCVEGCSA-N 2 2 232.352 2.353 10 0 BEAELP CC(C)CC[C@@](C)(C[NH3+])[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000019518776 166901804 /nfs/dbraw/zinc/90/18/04/166901804.db2.gz OURCWYPWGJKLNV-IHRRRGAJSA-N 2 2 242.407 2.249 10 0 BEAELP CC(C)C[NH2+][C@@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000037106652 167012657 /nfs/dbraw/zinc/01/26/57/167012657.db2.gz UWKYPMBVWIMYBR-VXGBXAGGSA-N 2 2 207.321 2.222 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000309671630 167031780 /nfs/dbraw/zinc/03/17/80/167031780.db2.gz KAHLJCRYRDGSKN-JHJVBQTASA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000309671630 167031783 /nfs/dbraw/zinc/03/17/83/167031783.db2.gz KAHLJCRYRDGSKN-JHJVBQTASA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[NH2+]CC(C)(C)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000051209712 167098013 /nfs/dbraw/zinc/09/80/13/167098013.db2.gz NPWLRIHHRUEMFC-BETUJISGSA-N 2 2 242.407 2.120 10 0 BEAELP CC(C)[NH2+]CC(C)(C)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000051209712 167098015 /nfs/dbraw/zinc/09/80/15/167098015.db2.gz NPWLRIHHRUEMFC-BETUJISGSA-N 2 2 242.407 2.120 10 0 BEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]Cc1ccc(O)cc1 ZINC000049195012 167395750 /nfs/dbraw/zinc/39/57/50/167395750.db2.gz RXNAYXBRIUWINP-CQSZACIVSA-N 2 2 236.359 2.068 10 0 BEAELP C[C@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@H]1[NH3+] ZINC000300046802 411078498 /nfs/dbraw/zinc/07/84/98/411078498.db2.gz AAAOWOQWINYTIO-XHDPSFHLSA-N 2 2 230.355 2.343 10 0 BEAELP C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1[NH3+] ZINC000300046802 411078503 /nfs/dbraw/zinc/07/85/03/411078503.db2.gz AAAOWOQWINYTIO-XHDPSFHLSA-N 2 2 230.355 2.343 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655697495 411244558 /nfs/dbraw/zinc/24/45/58/411244558.db2.gz QONBMRGSBWAEKO-FRRDWIJNSA-N 2 2 242.432 2.344 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655697495 411244561 /nfs/dbraw/zinc/24/45/61/411244561.db2.gz QONBMRGSBWAEKO-FRRDWIJNSA-N 2 2 242.432 2.344 10 0 BEAELP Cc1cccc(NCC2([NH3+])CCCC2)[nH+]1 ZINC000656610414 411308501 /nfs/dbraw/zinc/30/85/01/411308501.db2.gz DUMDKASKKUAHNI-UHFFFAOYSA-N 2 2 205.305 2.073 10 0 BEAELP CC1CCC(C[NH3+])([NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000019484279 168154019 /nfs/dbraw/zinc/15/40/19/168154019.db2.gz KINSKZLQYXMVOZ-CEUNDQEZSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@H]([NH3+])[C@H](c1ccco1)[NH+]1CCC(C)CC1 ZINC000043334295 168186344 /nfs/dbraw/zinc/18/63/44/168186344.db2.gz QVIUFXGLGQAOBF-WCQYABFASA-N 2 2 222.332 2.400 10 0 BEAELP CC1CC[NH+]([C@H]2C[C@H](C)CC[C@@H]2[NH3+])CC1 ZINC000023069624 168187684 /nfs/dbraw/zinc/18/76/84/168187684.db2.gz VNHAAJAJYUQMII-AGIUHOORSA-N 2 2 210.365 2.234 10 0 BEAELP C[C@H]1C[C@H](C[NH3+])CN1c1[nH+]ccc2ccccc21 ZINC000216238067 411384572 /nfs/dbraw/zinc/38/45/72/411384572.db2.gz DWAAZSAOXAGESW-NWDGAFQWSA-N 2 2 241.338 2.408 10 0 BEAELP C[C@@H]1C[C@@H](C[NH3+])CN1c1[nH+]ccc2ccccc21 ZINC000216238108 411384760 /nfs/dbraw/zinc/38/47/60/411384760.db2.gz DWAAZSAOXAGESW-NEPJUHHUSA-N 2 2 241.338 2.408 10 0 BEAELP CC[N@@H+]1CC[C@@H](CNc2ccc(C)c[nH+]2)C1 ZINC000037484456 170010729 /nfs/dbraw/zinc/01/07/29/170010729.db2.gz ZRFJKGDAKKMZRX-LBPRGKRZSA-N 2 2 219.332 2.144 10 0 BEAELP CC[N@H+]1CC[C@@H](CNc2ccc(C)c[nH+]2)C1 ZINC000037484456 170010730 /nfs/dbraw/zinc/01/07/30/170010730.db2.gz ZRFJKGDAKKMZRX-LBPRGKRZSA-N 2 2 219.332 2.144 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000328456098 170012541 /nfs/dbraw/zinc/01/25/41/170012541.db2.gz FJINDQGTOJFRAX-UKRRQHHQSA-N 2 2 232.371 2.474 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000328456098 170012542 /nfs/dbraw/zinc/01/25/42/170012542.db2.gz FJINDQGTOJFRAX-UKRRQHHQSA-N 2 2 232.371 2.474 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000336898081 170014820 /nfs/dbraw/zinc/01/48/20/170014820.db2.gz QDLXIEQRYWVHOJ-GXTWGEPZSA-N 2 2 248.370 2.440 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000336898081 170014822 /nfs/dbraw/zinc/01/48/22/170014822.db2.gz QDLXIEQRYWVHOJ-GXTWGEPZSA-N 2 2 248.370 2.440 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000328526654 170022020 /nfs/dbraw/zinc/02/20/20/170022020.db2.gz URFXFEJOHVXOQK-RFQIPJPRSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000328526654 170022021 /nfs/dbraw/zinc/02/20/21/170022021.db2.gz URFXFEJOHVXOQK-RFQIPJPRSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(SC)CCC2)C1 ZINC000336777155 170030400 /nfs/dbraw/zinc/03/04/00/170030400.db2.gz HOFINXAYNWHHNV-NEPJUHHUSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(SC)CCC2)C1 ZINC000336777155 170030402 /nfs/dbraw/zinc/03/04/02/170030402.db2.gz HOFINXAYNWHHNV-NEPJUHHUSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000306333732 170030683 /nfs/dbraw/zinc/03/06/83/170030683.db2.gz DWPFYBUIICESKD-OCCSQVGLSA-N 2 2 218.344 2.116 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000306333732 170030684 /nfs/dbraw/zinc/03/06/84/170030684.db2.gz DWPFYBUIICESKD-OCCSQVGLSA-N 2 2 218.344 2.116 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2sccc2C)C1 ZINC000309674588 170030922 /nfs/dbraw/zinc/03/09/22/170030922.db2.gz XGWXXPUGQIRWHZ-NEPJUHHUSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2sccc2C)C1 ZINC000309674588 170030924 /nfs/dbraw/zinc/03/09/24/170030924.db2.gz XGWXXPUGQIRWHZ-NEPJUHHUSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2sccc2C)C1 ZINC000309674591 170031293 /nfs/dbraw/zinc/03/12/93/170031293.db2.gz XGWXXPUGQIRWHZ-VXGBXAGGSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2sccc2C)C1 ZINC000309674591 170031294 /nfs/dbraw/zinc/03/12/94/170031294.db2.gz XGWXXPUGQIRWHZ-VXGBXAGGSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC000309897294 170031408 /nfs/dbraw/zinc/03/14/08/170031408.db2.gz GIYHLHVRSARQJU-TZMCWYRMSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC000309897294 170031409 /nfs/dbraw/zinc/03/14/09/170031409.db2.gz GIYHLHVRSARQJU-TZMCWYRMSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]CC2(C)CCC2)[C@@H](C)C1 ZINC000336761688 170035354 /nfs/dbraw/zinc/03/53/54/170035354.db2.gz NBAPERNKSXZUFC-RYUDHWBXSA-N 2 2 210.365 2.106 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]CC2(C)CCC2)[C@@H](C)C1 ZINC000336761688 170035356 /nfs/dbraw/zinc/03/53/56/170035356.db2.gz NBAPERNKSXZUFC-RYUDHWBXSA-N 2 2 210.365 2.106 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]CC2(C)CCCC2)[C@@H](C)C1 ZINC000336779497 170035974 /nfs/dbraw/zinc/03/59/74/170035974.db2.gz OMEJVAWPHZYCAS-STQMWFEESA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]CC2(C)CCCC2)[C@@H](C)C1 ZINC000336779497 170035975 /nfs/dbraw/zinc/03/59/75/170035975.db2.gz OMEJVAWPHZYCAS-STQMWFEESA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000309034842 170037062 /nfs/dbraw/zinc/03/70/62/170037062.db2.gz HOFOMBIJFSYNPG-NWDGAFQWSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000309034842 170037063 /nfs/dbraw/zinc/03/70/63/170037063.db2.gz HOFOMBIJFSYNPG-NWDGAFQWSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCC2(C)C)[C@@H](C)C1 ZINC000309061765 170037177 /nfs/dbraw/zinc/03/71/77/170037177.db2.gz XDESWJGQIHIEBE-SDDRHHMPSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCC2(C)C)[C@@H](C)C1 ZINC000309061765 170037178 /nfs/dbraw/zinc/03/71/78/170037178.db2.gz XDESWJGQIHIEBE-SDDRHHMPSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+]Cc2sccc2C)[C@@H](C)C1 ZINC000309674590 170037363 /nfs/dbraw/zinc/03/73/63/170037363.db2.gz XGWXXPUGQIRWHZ-RYUDHWBXSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+]Cc2sccc2C)[C@@H](C)C1 ZINC000309674590 170037364 /nfs/dbraw/zinc/03/73/64/170037364.db2.gz XGWXXPUGQIRWHZ-RYUDHWBXSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000309066131 170038678 /nfs/dbraw/zinc/03/86/78/170038678.db2.gz ZNKRKHLHGCFOGM-GMXVVIOVSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000309066131 170038679 /nfs/dbraw/zinc/03/86/79/170038679.db2.gz ZNKRKHLHGCFOGM-GMXVVIOVSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000309034593 170038885 /nfs/dbraw/zinc/03/88/85/170038885.db2.gz HJHCUHJFXFDRSM-RWMBFGLXSA-N 2 2 212.381 2.351 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000309034593 170038886 /nfs/dbraw/zinc/03/88/86/170038886.db2.gz HJHCUHJFXFDRSM-RWMBFGLXSA-N 2 2 212.381 2.351 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000336763986 170039707 /nfs/dbraw/zinc/03/97/07/170039707.db2.gz PMFJRTVGBCFJQA-YVECIDJPSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000336763986 170039708 /nfs/dbraw/zinc/03/97/08/170039708.db2.gz PMFJRTVGBCFJQA-YVECIDJPSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000309061764 170039758 /nfs/dbraw/zinc/03/97/58/170039758.db2.gz XDESWJGQIHIEBE-QJPTWQEYSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000309061764 170039759 /nfs/dbraw/zinc/03/97/59/170039759.db2.gz XDESWJGQIHIEBE-QJPTWQEYSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000336778429 170039828 /nfs/dbraw/zinc/03/98/28/170039828.db2.gz LIMOKJHHXAGNLE-YNEHKIRRSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000336778429 170039830 /nfs/dbraw/zinc/03/98/30/170039830.db2.gz LIMOKJHHXAGNLE-YNEHKIRRSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000336779667 170040012 /nfs/dbraw/zinc/04/00/12/170040012.db2.gz PCTCJRBLXIDJPX-ZOBORPQBSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000336779667 170040014 /nfs/dbraw/zinc/04/00/14/170040014.db2.gz PCTCJRBLXIDJPX-ZOBORPQBSA-N 2 2 224.392 2.495 10 0 BEAELP CC[NH2+]C(C)(C)C[NH+]1CCC(C)(C)CC1 ZINC000061822608 170107339 /nfs/dbraw/zinc/10/73/39/170107339.db2.gz DCIZKFQZTOYTNM-UHFFFAOYSA-N 2 2 212.381 2.497 10 0 BEAELP CC[NH2+][C@@H](C)Cc1[nH]c2c(cccc2C)[nH+]1 ZINC000061181991 170139779 /nfs/dbraw/zinc/13/97/79/170139779.db2.gz DULGPIJATGCUMX-JTQLQIEISA-N 2 2 217.316 2.412 10 0 BEAELP CC[NH2+][C@@H]1CCC[C@H]1[NH+]1CCCCCC1 ZINC000043812171 170151748 /nfs/dbraw/zinc/15/17/48/170151748.db2.gz OKOOQYQBGZMTOQ-CHWSQXEVSA-N 2 2 210.365 2.393 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000048266201 170151776 /nfs/dbraw/zinc/15/17/76/170151776.db2.gz SSFXMLYAQCZWES-CQSZACIVSA-N 2 2 218.344 2.179 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000048266201 170151777 /nfs/dbraw/zinc/15/17/77/170151777.db2.gz SSFXMLYAQCZWES-CQSZACIVSA-N 2 2 218.344 2.179 10 0 BEAELP CC[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000104428142 170158284 /nfs/dbraw/zinc/15/82/84/170158284.db2.gz VUKMMHHWGXOPOV-HIFRSBDPSA-N 2 2 247.386 2.434 10 0 BEAELP CC[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000104428142 170158286 /nfs/dbraw/zinc/15/82/86/170158286.db2.gz VUKMMHHWGXOPOV-HIFRSBDPSA-N 2 2 247.386 2.434 10 0 BEAELP CC[NH2+][C@H](C)Cc1[nH+]c2cc(C)ccc2n1C ZINC000061181842 170158720 /nfs/dbraw/zinc/15/87/20/170158720.db2.gz GVUFTBDQPMTPPU-LLVKDONJSA-N 2 2 231.343 2.422 10 0 BEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccc(F)cc1 ZINC000035570348 170162398 /nfs/dbraw/zinc/16/23/98/170162398.db2.gz XPDAOSYEEHALQZ-CYBMUJFWSA-N 2 2 247.317 2.312 10 0 BEAELP CC[NH2+][C@H](C[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000050270199 170162561 /nfs/dbraw/zinc/16/25/61/170162561.db2.gz ZOCUZKMXMQWJHZ-OAHLLOKOSA-N 2 2 244.338 2.458 10 0 BEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000035570409 170163477 /nfs/dbraw/zinc/16/34/77/170163477.db2.gz GPTIOBLZNBSOOX-GFCCVEGCSA-N 2 2 233.290 2.442 10 0 BEAELP CCOCCC[NH2+]CC[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC000053387322 170380717 /nfs/dbraw/zinc/38/07/17/170380717.db2.gz LBXWFUNDYBTSEN-KGLIPLIRSA-N 2 2 242.407 2.123 10 0 BEAELP CCOCCC[NH2+]CC[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC000053387322 170380719 /nfs/dbraw/zinc/38/07/19/170380719.db2.gz LBXWFUNDYBTSEN-KGLIPLIRSA-N 2 2 242.407 2.123 10 0 BEAELP CCOCC[N@H+](CC)CC[NH2+]CCC(C)(C)C ZINC000104198011 170394678 /nfs/dbraw/zinc/39/46/78/170394678.db2.gz AANUGWKIPUMSNC-UHFFFAOYSA-N 2 2 244.423 2.371 10 0 BEAELP CCOCC[N@@H+](CC)CC[NH2+]CCC(C)(C)C ZINC000104198011 170394679 /nfs/dbraw/zinc/39/46/79/170394679.db2.gz AANUGWKIPUMSNC-UHFFFAOYSA-N 2 2 244.423 2.371 10 0 BEAELP CC[C@@H]1CC[N@H+](CC2CCCC2)CC[NH2+]1 ZINC000049661939 171009765 /nfs/dbraw/zinc/00/97/65/171009765.db2.gz RMKBQEVWIIRONN-CYBMUJFWSA-N 2 2 210.365 2.251 10 0 BEAELP CC[C@@H]1CC[N@@H+](CC2CCCC2)CC[NH2+]1 ZINC000049661939 171009769 /nfs/dbraw/zinc/00/97/69/171009769.db2.gz RMKBQEVWIIRONN-CYBMUJFWSA-N 2 2 210.365 2.251 10 0 BEAELP CC[C@@H]1CC[N@H+](Cc2cccc(F)c2)CC[NH2+]1 ZINC000049661828 171012523 /nfs/dbraw/zinc/01/25/23/171012523.db2.gz OVTCCURLAKCBIQ-CQSZACIVSA-N 2 2 236.334 2.400 10 0 BEAELP CC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)CC[NH2+]1 ZINC000049661828 171012524 /nfs/dbraw/zinc/01/25/24/171012524.db2.gz OVTCCURLAKCBIQ-CQSZACIVSA-N 2 2 236.334 2.400 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000336732104 171044949 /nfs/dbraw/zinc/04/49/49/171044949.db2.gz LCSJJMLSWAFDKQ-UPJWGTAASA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000336732104 171044951 /nfs/dbraw/zinc/04/49/51/171044951.db2.gz LCSJJMLSWAFDKQ-UPJWGTAASA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@](C)(C[NH3+])[NH+]1Cc2ccccc2C1 ZINC000050910668 171167517 /nfs/dbraw/zinc/16/75/17/171167517.db2.gz LXVVGWNVQMNPOK-ZDUSSCGKSA-N 2 2 204.317 2.130 10 0 BEAELP CC[C@@]1(C(=O)Nc2cc[nH+]cc2C)CCC[NH2+]C1 ZINC000104244925 171197194 /nfs/dbraw/zinc/19/71/94/171197194.db2.gz LPCVHEQXIZOGAB-CQSZACIVSA-N 2 2 247.342 2.108 10 0 BEAELP CC[C@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000309169681 171342526 /nfs/dbraw/zinc/34/25/26/171342526.db2.gz KTIFPECTBSHASN-WDEREUQCSA-N 2 2 207.321 2.149 10 0 BEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC)C1 ZINC000105897403 172028655 /nfs/dbraw/zinc/02/86/55/172028655.db2.gz UFDYFERATYUVDE-NSHDSACASA-N 2 2 207.321 2.102 10 0 BEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC)C1 ZINC000105897403 172028658 /nfs/dbraw/zinc/02/86/58/172028658.db2.gz UFDYFERATYUVDE-NSHDSACASA-N 2 2 207.321 2.102 10 0 BEAELP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309928622 172396573 /nfs/dbraw/zinc/39/65/73/172396573.db2.gz WUSMWLNVMGGBIO-NEPJUHHUSA-N 2 2 230.371 2.445 10 0 BEAELP C[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000042545509 173124711 /nfs/dbraw/zinc/12/47/11/173124711.db2.gz WMSLPHJEMSCPJS-HNFVBEJKSA-N 2 2 248.345 2.365 10 0 BEAELP C[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000042545509 173124713 /nfs/dbraw/zinc/12/47/13/173124713.db2.gz WMSLPHJEMSCPJS-HNFVBEJKSA-N 2 2 248.345 2.365 10 0 BEAELP C[NH2+]CCOCc1ccc2[nH]c(C(C)C)[nH+]c2c1 ZINC000077418411 173357159 /nfs/dbraw/zinc/35/71/59/173357159.db2.gz YPDOFHQPCKSTQE-UHFFFAOYSA-N 2 2 247.342 2.422 10 0 BEAELP C[NH2+]CCOCc1ccc2[nH+]c(C(C)C)[nH]c2c1 ZINC000077418411 173357160 /nfs/dbraw/zinc/35/71/60/173357160.db2.gz YPDOFHQPCKSTQE-UHFFFAOYSA-N 2 2 247.342 2.422 10 0 BEAELP C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2sccc2C1 ZINC000052382832 173361954 /nfs/dbraw/zinc/36/19/54/173361954.db2.gz DUCYBGKATSJGMI-LBPRGKRZSA-N 2 2 238.400 2.350 10 0 BEAELP C[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2sccc2C1 ZINC000052382832 173361955 /nfs/dbraw/zinc/36/19/55/173361955.db2.gz DUCYBGKATSJGMI-LBPRGKRZSA-N 2 2 238.400 2.350 10 0 BEAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC000044412633 173366838 /nfs/dbraw/zinc/36/68/38/173366838.db2.gz IWCGFUHEHHQPPK-ZDUSSCGKSA-N 2 2 210.365 2.251 10 0 BEAELP C[NH2+]C[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC000044412633 173366840 /nfs/dbraw/zinc/36/68/40/173366840.db2.gz IWCGFUHEHHQPPK-ZDUSSCGKSA-N 2 2 210.365 2.251 10 0 BEAELP C[NH2+]C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C ZINC000052376157 173366913 /nfs/dbraw/zinc/36/69/13/173366913.db2.gz OHHPPQYKJKWKIY-OCCSQVGLSA-N 2 2 218.344 2.431 10 0 BEAELP C[NH2+]C[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C ZINC000052376157 173366916 /nfs/dbraw/zinc/36/69/16/173366916.db2.gz OHHPPQYKJKWKIY-OCCSQVGLSA-N 2 2 218.344 2.431 10 0 BEAELP C[NH2+]C[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373012 173376350 /nfs/dbraw/zinc/37/63/50/173376350.db2.gz GGARTMZBACEFPE-JSGCOSHPSA-N 2 2 218.344 2.084 10 0 BEAELP C[NH2+]C[C@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373012 173376351 /nfs/dbraw/zinc/37/63/51/173376351.db2.gz GGARTMZBACEFPE-JSGCOSHPSA-N 2 2 218.344 2.084 10 0 BEAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)C(C)C ZINC000051434656 173384403 /nfs/dbraw/zinc/38/44/03/173384403.db2.gz KJDOMNPWNYKEFW-UHFFFAOYSA-N 2 2 221.348 2.262 10 0 BEAELP COC1CC[NH+]([C@H](C)C[NH2+]C2CCCC2)CC1 ZINC000053490641 174029531 /nfs/dbraw/zinc/02/95/31/174029531.db2.gz SULYHJVVWZQBNP-GFCCVEGCSA-N 2 2 240.391 2.018 10 0 BEAELP COC1CC[NH+]([C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000037266215 174030278 /nfs/dbraw/zinc/03/02/78/174030278.db2.gz DATWMZZAIDNYMS-UONOGXRCSA-N 2 2 240.391 2.147 10 0 BEAELP COCC[N@H+](C[C@@H]([NH3+])c1ccc(C)cc1)C1CC1 ZINC000042518138 174297321 /nfs/dbraw/zinc/29/73/21/174297321.db2.gz OYZSGJBWPZHYNN-OAHLLOKOSA-N 2 2 248.370 2.106 10 0 BEAELP COCC[N@@H+](C[C@@H]([NH3+])c1ccc(C)cc1)C1CC1 ZINC000042518138 174297323 /nfs/dbraw/zinc/29/73/23/174297323.db2.gz OYZSGJBWPZHYNN-OAHLLOKOSA-N 2 2 248.370 2.106 10 0 BEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)C2CC2)cc1 ZINC000042960667 175181953 /nfs/dbraw/zinc/18/19/53/175181953.db2.gz HOYLQPRHMUUTMS-QMTHXVAHSA-N 2 2 234.343 2.178 10 0 BEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)C2CC2)cc1 ZINC000042960667 175181955 /nfs/dbraw/zinc/18/19/55/175181955.db2.gz HOYLQPRHMUUTMS-QMTHXVAHSA-N 2 2 234.343 2.178 10 0 BEAELP COc1ccc([C@H]([C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000042960000 175193990 /nfs/dbraw/zinc/19/39/90/175193990.db2.gz QSBOOVHAANSDJY-RISCZKNCSA-N 2 2 234.343 2.179 10 0 BEAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CC2CC2)c1 ZINC000043027317 175295560 /nfs/dbraw/zinc/29/55/60/175295560.db2.gz UGBKHBWSXSVVPJ-ABAIWWIYSA-N 2 2 248.370 2.425 10 0 BEAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000043027317 175295562 /nfs/dbraw/zinc/29/55/62/175295562.db2.gz UGBKHBWSXSVVPJ-ABAIWWIYSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](C)CC1CC1 ZINC000043097797 175349079 /nfs/dbraw/zinc/34/90/79/175349079.db2.gz DRCUNDYVCOMRHP-XHDPSFHLSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)CC1CC1 ZINC000043097797 175349083 /nfs/dbraw/zinc/34/90/83/175349083.db2.gz DRCUNDYVCOMRHP-XHDPSFHLSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)C[C@H]1C[C@@H]1C ZINC000111765793 175352885 /nfs/dbraw/zinc/35/28/85/175352885.db2.gz LMCYWDHXBDCWLA-SCRDCRAPSA-N 2 2 248.370 2.283 10 0 BEAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)C[C@H]1C[C@@H]1C ZINC000111765793 175352887 /nfs/dbraw/zinc/35/28/87/175352887.db2.gz LMCYWDHXBDCWLA-SCRDCRAPSA-N 2 2 248.370 2.283 10 0 BEAELP C[C@@H](c1cccs1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000095068288 176034175 /nfs/dbraw/zinc/03/41/75/176034175.db2.gz BWCOTXLGXJMJTJ-VHSXEESVSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H](c1cccs1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC000095068288 176034176 /nfs/dbraw/zinc/03/41/76/176034176.db2.gz BWCOTXLGXJMJTJ-VHSXEESVSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)Cc1cccnc1 ZINC000036770986 176083216 /nfs/dbraw/zinc/08/32/16/176083216.db2.gz SOCLIGCQEAXWNE-HIFRSBDPSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)Cc1cccnc1 ZINC000036770986 176083217 /nfs/dbraw/zinc/08/32/17/176083217.db2.gz SOCLIGCQEAXWNE-HIFRSBDPSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)[C@@H]1C[NH3+] ZINC000070178399 176104221 /nfs/dbraw/zinc/10/42/21/176104221.db2.gz YJXVADPGWPLQJA-ZWNOBZJWSA-N 2 2 244.342 2.127 10 0 BEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2ccncc2)C1 ZINC000036775757 176133466 /nfs/dbraw/zinc/13/34/66/176133466.db2.gz FNNJJMGKKIYDQR-UKRRQHHQSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2ccncc2)C1 ZINC000036775757 176133467 /nfs/dbraw/zinc/13/34/67/176133467.db2.gz FNNJJMGKKIYDQR-UKRRQHHQSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1C[NH+](C2(C[NH3+])CCCCCC2)C[C@@H](C)O1 ZINC000019473383 176280613 /nfs/dbraw/zinc/28/06/13/176280613.db2.gz CFXRREOVMREJHO-CHWSQXEVSA-N 2 2 240.391 2.147 10 0 BEAELP C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111823817 176391906 /nfs/dbraw/zinc/39/19/06/176391906.db2.gz DVDXTUCUYIUGFK-QKCSRTOESA-N 2 2 236.334 2.413 10 0 BEAELP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111823817 176391907 /nfs/dbraw/zinc/39/19/07/176391907.db2.gz DVDXTUCUYIUGFK-QKCSRTOESA-N 2 2 236.334 2.413 10 0 BEAELP C[C@H]([C@H]([NH3+])c1ccccc1)n1cc[nH+]c1 ZINC000023070824 177031100 /nfs/dbraw/zinc/03/11/00/177031100.db2.gz DCHONAQTARXODU-PWSUYJOCSA-N 2 2 201.273 2.144 10 0 BEAELP C[C@H](c1cccs1)[N@@H+]1CCC[NH2+]CC1 ZINC000022108907 177049387 /nfs/dbraw/zinc/04/93/87/177049387.db2.gz VBBCBPZPSYXWIH-SNVBAGLBSA-N 2 2 210.346 2.104 10 0 BEAELP C[C@H](c1cccs1)[N@H+]1CCC[NH2+]CC1 ZINC000022108907 177049388 /nfs/dbraw/zinc/04/93/88/177049388.db2.gz VBBCBPZPSYXWIH-SNVBAGLBSA-N 2 2 210.346 2.104 10 0 BEAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccco1 ZINC000019258444 177079152 /nfs/dbraw/zinc/07/91/52/177079152.db2.gz UCKUHYFJNRMIHE-QWRGUYRKSA-N 2 2 208.305 2.154 10 0 BEAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccco1 ZINC000019258444 177079154 /nfs/dbraw/zinc/07/91/54/177079154.db2.gz UCKUHYFJNRMIHE-QWRGUYRKSA-N 2 2 208.305 2.154 10 0 BEAELP C[C@H]1CCCC[C@@H]1[NH2+]CCc1[nH+]ccn1C ZINC000040638577 177083037 /nfs/dbraw/zinc/08/30/37/177083037.db2.gz NOYVIULOYKGVDQ-RYUDHWBXSA-N 2 2 221.348 2.131 10 0 BEAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+]1CCCSCC1 ZINC000042443612 177084842 /nfs/dbraw/zinc/08/48/42/177084842.db2.gz DJCVHWGKHFTUOL-STQMWFEESA-N 2 2 242.432 2.333 10 0 BEAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@H+]1CCCSCC1 ZINC000042443612 177084843 /nfs/dbraw/zinc/08/48/43/177084843.db2.gz DJCVHWGKHFTUOL-STQMWFEESA-N 2 2 242.432 2.333 10 0 BEAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1([NH3+])CCCC1 ZINC000050566832 177096403 /nfs/dbraw/zinc/09/64/03/177096403.db2.gz UTBJGROCQACRQA-NWDGAFQWSA-N 2 2 210.365 2.378 10 0 BEAELP C[C@@H]1[C@@H](C)CCC[N@H+]1CC1([NH3+])CCCC1 ZINC000050566832 177096404 /nfs/dbraw/zinc/09/64/04/177096404.db2.gz UTBJGROCQACRQA-NWDGAFQWSA-N 2 2 210.365 2.378 10 0 BEAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2ccncc2)C1 ZINC000036775758 177127975 /nfs/dbraw/zinc/12/79/75/177127975.db2.gz FNNJJMGKKIYDQR-DZGCQCFKSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2ccncc2)C1 ZINC000036775758 177127976 /nfs/dbraw/zinc/12/79/76/177127976.db2.gz FNNJJMGKKIYDQR-DZGCQCFKSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]CC1CC1 ZINC000037478531 177131381 /nfs/dbraw/zinc/13/13/81/177131381.db2.gz UFLBEKWBKDKIHU-RYUDHWBXSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@H]1CCCC[C@H]1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000044417887 177161603 /nfs/dbraw/zinc/16/16/03/177161603.db2.gz LEYIZWFTLCZGQT-IHRRRGAJSA-N 2 2 224.392 2.497 10 0 BEAELP C[C@H]1CCCC[C@H]1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000044417887 177161604 /nfs/dbraw/zinc/16/16/04/177161604.db2.gz LEYIZWFTLCZGQT-IHRRRGAJSA-N 2 2 224.392 2.497 10 0 BEAELP C[C@H]1CC[N@H+](CCc2ccccc2F)CC[NH2+]1 ZINC000049661274 177161874 /nfs/dbraw/zinc/16/18/74/177161874.db2.gz WNMRGIKIVHZQJX-LBPRGKRZSA-N 2 2 236.334 2.052 10 0 BEAELP C[C@H]1CC[N@@H+](CCc2ccccc2F)CC[NH2+]1 ZINC000049661274 177161876 /nfs/dbraw/zinc/16/18/76/177161876.db2.gz WNMRGIKIVHZQJX-LBPRGKRZSA-N 2 2 236.334 2.052 10 0 BEAELP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1csc(C[NH3+])n1 ZINC000052510109 177166546 /nfs/dbraw/zinc/16/65/46/177166546.db2.gz JQMQBIYQLBHYBB-VHSXEESVSA-N 2 2 239.388 2.222 10 0 BEAELP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1csc(C[NH3+])n1 ZINC000052510109 177166547 /nfs/dbraw/zinc/16/65/47/177166547.db2.gz JQMQBIYQLBHYBB-VHSXEESVSA-N 2 2 239.388 2.222 10 0 BEAELP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(F)cc1 ZINC000062611108 177174247 /nfs/dbraw/zinc/17/42/47/177174247.db2.gz CCDGZKINIHVQSJ-NSHDSACASA-N 2 2 222.307 2.010 10 0 BEAELP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(F)cc1 ZINC000062611108 177174249 /nfs/dbraw/zinc/17/42/49/177174249.db2.gz CCDGZKINIHVQSJ-NSHDSACASA-N 2 2 222.307 2.010 10 0 BEAELP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1F ZINC000062611104 177174589 /nfs/dbraw/zinc/17/45/89/177174589.db2.gz KUKNQWPTSQEQQT-NSHDSACASA-N 2 2 222.307 2.010 10 0 BEAELP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1F ZINC000062611104 177174591 /nfs/dbraw/zinc/17/45/91/177174591.db2.gz KUKNQWPTSQEQQT-NSHDSACASA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCCC[C@@H]2C)C[C@H](C)O1 ZINC000019515834 177276055 /nfs/dbraw/zinc/27/60/55/177276055.db2.gz YYTZQACFASOKKM-FQUUOJAGSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCCC[C@@H]2C)C[C@H](C)O1 ZINC000019515834 177276057 /nfs/dbraw/zinc/27/60/57/177276057.db2.gz YYTZQACFASOKKM-FQUUOJAGSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@H]1C[N@@H+]([C@H](C[NH3+])CC(C)(C)C)CC(C)(C)O1 ZINC000061840019 177276502 /nfs/dbraw/zinc/27/65/02/177276502.db2.gz XDCNLAUDLNZSMB-RYUDHWBXSA-N 2 2 242.407 2.249 10 0 BEAELP C[C@H]1C[N@H+]([C@H](C[NH3+])CC(C)(C)C)CC(C)(C)O1 ZINC000061840019 177276503 /nfs/dbraw/zinc/27/65/03/177276503.db2.gz XDCNLAUDLNZSMB-RYUDHWBXSA-N 2 2 242.407 2.249 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@@H+](CC2([NH3+])CCCC2)C1 ZINC000037479582 177313109 /nfs/dbraw/zinc/31/31/09/177313109.db2.gz XQWRZUVXVDLOOQ-TXEJJXNPSA-N 2 2 210.365 2.236 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@H+](CC2([NH3+])CCCC2)C1 ZINC000037479582 177313110 /nfs/dbraw/zinc/31/31/10/177313110.db2.gz XQWRZUVXVDLOOQ-TXEJJXNPSA-N 2 2 210.365 2.236 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C[NH3+])c2cccnc2)C1 ZINC000019261412 177314474 /nfs/dbraw/zinc/31/44/74/177314474.db2.gz JPQSIQUAQMFLSO-SCRDCRAPSA-N 2 2 233.359 2.059 10 0 BEAELP COc1cccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000396728744 323656333 /nfs/dbraw/zinc/65/63/33/323656333.db2.gz ZYCYYLCFKYSNOB-SLEUVZQESA-N 2 2 248.370 2.486 10 0 BEAELP CC(C)[NH2+]CCCNc1ccc2ccccc2[nH+]1 ZINC000566058955 325988928 /nfs/dbraw/zinc/98/89/28/325988928.db2.gz KPGFZJPHVMMPSE-UHFFFAOYSA-N 2 2 243.354 2.457 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@H+](CC1CC1)C(C)C ZINC000042593628 487971975 /nfs/dbraw/zinc/97/19/75/487971975.db2.gz BMVPESYALRXJTD-ZDUSSCGKSA-N 2 2 212.381 2.480 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@@H+](CC1CC1)C(C)C ZINC000042593628 487971977 /nfs/dbraw/zinc/97/19/77/487971977.db2.gz BMVPESYALRXJTD-ZDUSSCGKSA-N 2 2 212.381 2.480 10 0 BEAELP Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c(C)[nH+]1 ZINC000094665926 487550040 /nfs/dbraw/zinc/55/00/40/487550040.db2.gz QMUMBJXIIRCXGU-NWDGAFQWSA-N 2 2 247.342 2.012 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)[C@@H](C)C1 ZINC000382103965 487531605 /nfs/dbraw/zinc/53/16/05/487531605.db2.gz CIMUTOWEXFOKDX-QNSTZXKLSA-N 2 2 222.376 2.105 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)[C@@H](C)C1 ZINC000382103965 487531608 /nfs/dbraw/zinc/53/16/08/487531608.db2.gz CIMUTOWEXFOKDX-QNSTZXKLSA-N 2 2 222.376 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000381706755 487521139 /nfs/dbraw/zinc/52/11/39/487521139.db2.gz JMRVHPFGYYEIFG-XQQFMLRXSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000381706755 487521144 /nfs/dbraw/zinc/52/11/44/487521144.db2.gz JMRVHPFGYYEIFG-XQQFMLRXSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000300250015 490553184 /nfs/dbraw/zinc/55/31/84/490553184.db2.gz OASFTTQHRYHCSC-IHRRRGAJSA-N 2 2 240.391 2.018 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000300250015 490553176 /nfs/dbraw/zinc/55/31/76/490553176.db2.gz OASFTTQHRYHCSC-IHRRRGAJSA-N 2 2 240.391 2.018 10 0 BEAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000221149077 536375796 /nfs/dbraw/zinc/37/57/96/536375796.db2.gz AIFKGYWNPNWFCC-BAPHQMLMSA-N 2 2 248.414 2.495 10 0 BEAELP C[N@H+]1CCC[C@@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000221149077 536375799 /nfs/dbraw/zinc/37/57/99/536375799.db2.gz AIFKGYWNPNWFCC-BAPHQMLMSA-N 2 2 248.414 2.495 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000251725054 535304812 /nfs/dbraw/zinc/30/48/12/535304812.db2.gz CDUJPAWRSSODBD-MGPQQGTHSA-N 2 2 242.407 2.120 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396662731 583088122 /nfs/dbraw/zinc/08/81/22/583088122.db2.gz HJADJLLIWJBNFI-XQHKEYJVSA-N 2 2 210.365 2.105 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396662731 583088123 /nfs/dbraw/zinc/08/81/23/583088123.db2.gz HJADJLLIWJBNFI-XQHKEYJVSA-N 2 2 210.365 2.105 10 0 BEAELP C[C@@H]1C[NH2+][C@H](c2cccc3cc[nH]c32)[C@@H]([NH3+])C1 ZINC000757220317 582563280 /nfs/dbraw/zinc/56/32/80/582563280.db2.gz YOXMHWNDIJVXBE-DUFXMDAXSA-N 2 2 229.327 2.166 10 0 BEAELP [NH3+]Cc1c(C2CCCC2)[nH+]c2n1CCCC2 ZINC000259201259 582809439 /nfs/dbraw/zinc/80/94/39/582809439.db2.gz YXSYXNLAPXAPHL-UHFFFAOYSA-N 2 2 219.332 2.336 10 0 BEAELP C[C@H]1[NH2+]CCC[C@H]1[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000396624455 583086605 /nfs/dbraw/zinc/08/66/05/583086605.db2.gz DJUHUNRCNKYWRJ-VXGBXAGGSA-N 2 2 240.391 2.016 10 0 BEAELP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CCc1sccc12 ZINC000397160215 583097682 /nfs/dbraw/zinc/09/76/82/583097682.db2.gz SNLFGSZIDZSJGV-CYBMUJFWSA-N 2 2 236.384 2.205 10 0 BEAELP C[N@H+]1CCC[C@]2(CC1)[NH2+]CCc1sccc12 ZINC000397160215 583097683 /nfs/dbraw/zinc/09/76/83/583097683.db2.gz SNLFGSZIDZSJGV-CYBMUJFWSA-N 2 2 236.384 2.205 10 0 BEAELP Cc1c[nH+]ccc1CC[NH2+]Cc1ccoc1 ZINC000126171097 590245820 /nfs/dbraw/zinc/24/58/20/590245820.db2.gz YHFGJXWXUMTMPY-UHFFFAOYSA-N 2 2 216.284 2.315 10 0 BEAELP CCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000328171737 633740329 /nfs/dbraw/zinc/74/03/29/633740329.db2.gz KHJHSDMCSGMJJL-OAHLLOKOSA-N 2 2 232.371 2.303 10 0 BEAELP CCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000328171737 633740338 /nfs/dbraw/zinc/74/03/38/633740338.db2.gz KHJHSDMCSGMJJL-OAHLLOKOSA-N 2 2 232.371 2.303 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000309921420 633943122 /nfs/dbraw/zinc/94/31/22/633943122.db2.gz SHGVIMVKEZIRAI-AHLTXXRQSA-N 2 2 222.376 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000309921420 633943127 /nfs/dbraw/zinc/94/31/27/633943127.db2.gz SHGVIMVKEZIRAI-AHLTXXRQSA-N 2 2 222.376 2.105 10 0 BEAELP CC[NH+]1CCC([NH2+]Cc2ncc(C)cc2C)CC1 ZINC000724021655 711556871 /nfs/dbraw/zinc/55/68/71/711556871.db2.gz FWFAPOYKFXOFJV-UHFFFAOYSA-N 2 2 247.386 2.272 10 0 BEAELP CC(C)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717155511 712638027 /nfs/dbraw/zinc/63/80/27/712638027.db2.gz OJZWZKNUIRENTM-LPEHRKFASA-N 2 2 238.297 2.242 10 0 BEAELP CC(C)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717155511 712638028 /nfs/dbraw/zinc/63/80/28/712638028.db2.gz OJZWZKNUIRENTM-LPEHRKFASA-N 2 2 238.297 2.242 10 0 BEAELP CC(C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000134840330 1167703842 /nfs/dbraw/zinc/70/38/42/1167703842.db2.gz SBHMGBNXDZJUHR-UHFFFAOYSA-N 2 2 221.329 2.432 10 0 BEAELP Cc1cc2ccccc2[nH+]c1NCCC[NH3+] ZINC000063105503 349505683 /nfs/dbraw/zinc/50/56/83/349505683.db2.gz GXYIKPFWYMHSFZ-UHFFFAOYSA-N 2 2 215.300 2.304 10 0 BEAELP CCC[C@H](CC)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336664809 398178695 /nfs/dbraw/zinc/17/86/95/398178695.db2.gz CXQIQQZYRSKIPW-FRRDWIJNSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[C@H](CC)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336664809 398178697 /nfs/dbraw/zinc/17/86/97/398178697.db2.gz CXQIQQZYRSKIPW-FRRDWIJNSA-N 2 2 212.381 2.495 10 0 BEAELP Cc1cc([NH3+])ccc1NC1CC[NH+](C)CC1 ZINC000037267272 178106196 /nfs/dbraw/zinc/10/61/96/178106196.db2.gz OWQBMWLTEDIMIS-UHFFFAOYSA-N 2 2 219.332 2.083 10 0 BEAELP Cc1cc(N2CCC[C@H]2C[NH2+]C(C)(C)C)nc[nH+]1 ZINC000053695669 178116135 /nfs/dbraw/zinc/11/61/35/178116135.db2.gz BNFXYDKKTKNCSH-LBPRGKRZSA-N 2 2 248.374 2.142 10 0 BEAELP CCC[C@H](C)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336750784 398202120 /nfs/dbraw/zinc/20/21/20/398202120.db2.gz ZUJSOYFZAVYTEP-WDEREUQCSA-N 2 2 221.348 2.293 10 0 BEAELP CCC[C@H](C)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336750784 398202122 /nfs/dbraw/zinc/20/21/22/398202122.db2.gz ZUJSOYFZAVYTEP-WDEREUQCSA-N 2 2 221.348 2.293 10 0 BEAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)C2CC2)c(C)s1 ZINC000049687290 178261478 /nfs/dbraw/zinc/26/14/78/178261478.db2.gz DMWRESWPYPRFLM-LBPRGKRZSA-N 2 2 224.373 2.459 10 0 BEAELP Cc1cc([C@H](C[NH3+])[N@H+](C)C2CC2)c(C)s1 ZINC000049687290 178261481 /nfs/dbraw/zinc/26/14/81/178261481.db2.gz DMWRESWPYPRFLM-LBPRGKRZSA-N 2 2 224.373 2.459 10 0 BEAELP CC[N@@H+]1CCC[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616612547 349567495 /nfs/dbraw/zinc/56/74/95/349567495.db2.gz WBUOHZJIUUHVSW-GFCCVEGCSA-N 2 2 219.332 2.368 10 0 BEAELP CC[N@H+]1CCC[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616612547 349567496 /nfs/dbraw/zinc/56/74/96/349567496.db2.gz WBUOHZJIUUHVSW-GFCCVEGCSA-N 2 2 219.332 2.368 10 0 BEAELP CCC(CC)[N@H+](CCO)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042513323 168374064 /nfs/dbraw/zinc/37/40/64/168374064.db2.gz DGIKIJLDVJATCK-KBPBESRZSA-N 2 2 242.407 2.129 10 0 BEAELP CCC(CC)[N@@H+](CCO)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042513323 168374065 /nfs/dbraw/zinc/37/40/65/168374065.db2.gz DGIKIJLDVJATCK-KBPBESRZSA-N 2 2 242.407 2.129 10 0 BEAELP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)C(C)C ZINC000040502850 343999303 /nfs/dbraw/zinc/99/93/03/343999303.db2.gz ODMVJBNCHUGKBC-QWHCGFSZSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)C(C)C ZINC000040502850 343999304 /nfs/dbraw/zinc/99/93/04/343999304.db2.gz ODMVJBNCHUGKBC-QWHCGFSZSA-N 2 2 212.381 2.495 10 0 BEAELP C[C@H]([NH3+])[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000043114971 342815457 /nfs/dbraw/zinc/81/54/57/342815457.db2.gz MKAZJKMXJKZHBH-GXSJLCMTSA-N 2 2 210.346 2.232 10 0 BEAELP c1[nH+]cn(Cc2ccccc2)c1[C@@H]1CC[NH2+]C1 ZINC000097007766 344004118 /nfs/dbraw/zinc/00/41/18/344004118.db2.gz ISVSTQJKBUZXQT-CYBMUJFWSA-N 2 2 227.311 2.008 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)C)C1 ZINC000390433701 539021384 /nfs/dbraw/zinc/02/13/84/539021384.db2.gz QXOGSGYFGZDBJM-MELADBBJSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)C)C1 ZINC000390433701 539021386 /nfs/dbraw/zinc/02/13/86/539021386.db2.gz QXOGSGYFGZDBJM-MELADBBJSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+](CC[NH3+])C[C@@H]1CCCCC1(F)F ZINC000382053279 398303053 /nfs/dbraw/zinc/30/30/53/398303053.db2.gz NKJFBOQOBKHIHM-JTQLQIEISA-N 2 2 220.307 2.093 10 0 BEAELP CC[N@@H+](CC[NH3+])C[C@@H]1CCCCC1(F)F ZINC000382053279 398303055 /nfs/dbraw/zinc/30/30/55/398303055.db2.gz NKJFBOQOBKHIHM-JTQLQIEISA-N 2 2 220.307 2.093 10 0 BEAELP CC[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000036169904 342894346 /nfs/dbraw/zinc/89/43/46/342894346.db2.gz QKUZXINKXBMKQA-CHWSQXEVSA-N 2 2 212.381 2.482 10 0 BEAELP CC[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000036169904 342894347 /nfs/dbraw/zinc/89/43/47/342894347.db2.gz QKUZXINKXBMKQA-CHWSQXEVSA-N 2 2 212.381 2.482 10 0 BEAELP CCOc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000045946250 343013197 /nfs/dbraw/zinc/01/31/97/343013197.db2.gz KDBILNRMLMVGGY-UHFFFAOYSA-N 2 2 245.326 2.141 10 0 BEAELP CCOc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000045946250 343013200 /nfs/dbraw/zinc/01/32/00/343013200.db2.gz KDBILNRMLMVGGY-UHFFFAOYSA-N 2 2 245.326 2.141 10 0 BEAELP Cc1cc[nH+]c(N[C@@H](C[NH3+])CC(C)C)c1 ZINC000082593100 343450305 /nfs/dbraw/zinc/45/03/05/343450305.db2.gz IFOCEXKSRYTSAV-LLVKDONJSA-N 2 2 207.321 2.175 10 0 BEAELP Cc1ccsc1[C@@H](C[NH3+])[NH+]1CCCC1 ZINC000022170197 343916470 /nfs/dbraw/zinc/91/64/70/343916470.db2.gz UKNRTWWCIVPZRC-SNVBAGLBSA-N 2 2 210.346 2.152 10 0 BEAELP CC1(C)CC[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000084231946 344189874 /nfs/dbraw/zinc/18/98/74/344189874.db2.gz PJHDTNJPMKQDGF-ZDUSSCGKSA-N 2 2 218.344 2.246 10 0 BEAELP CC1(C)CC[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000084231946 344189876 /nfs/dbraw/zinc/18/98/76/344189876.db2.gz PJHDTNJPMKQDGF-ZDUSSCGKSA-N 2 2 218.344 2.246 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1ccccc1OCc1ccccc1 ZINC000044468995 345085128 /nfs/dbraw/zinc/08/51/28/345085128.db2.gz CADMDHLGOQJMJH-AWEZNQCLSA-N 2 2 242.322 2.224 10 0 BEAELP Cc1ccc(F)c([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)c1 ZINC000675054093 537891374 /nfs/dbraw/zinc/89/13/74/537891374.db2.gz LPOZPQDTMCCVBX-MFKMUULPSA-N 2 2 222.307 2.228 10 0 BEAELP Cc1ccc(F)c([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000675054093 537891381 /nfs/dbraw/zinc/89/13/81/537891381.db2.gz LPOZPQDTMCCVBX-MFKMUULPSA-N 2 2 222.307 2.228 10 0 BEAELP CC[N@H+](C)CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000159061997 345406221 /nfs/dbraw/zinc/40/62/21/345406221.db2.gz IHGGNPPSWKKXNE-ZDUSSCGKSA-N 2 2 248.370 2.094 10 0 BEAELP CC[N@@H+](C)CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000159061997 345406224 /nfs/dbraw/zinc/40/62/24/345406224.db2.gz IHGGNPPSWKKXNE-ZDUSSCGKSA-N 2 2 248.370 2.094 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)C2CC2)c1 ZINC000037080682 179184616 /nfs/dbraw/zinc/18/46/16/179184616.db2.gz LNERXTSPRHPBQZ-CYBMUJFWSA-N 2 2 204.317 2.089 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)C2CC2)c1 ZINC000037080682 179184617 /nfs/dbraw/zinc/18/46/17/179184617.db2.gz LNERXTSPRHPBQZ-CYBMUJFWSA-N 2 2 204.317 2.089 10 0 BEAELP Cc1cccc([C@@H]([NH3+])Cc2[nH]cc[nH+]2)c1C ZINC000036946832 179186419 /nfs/dbraw/zinc/18/64/19/179186419.db2.gz RZSVSFYRQCDEIX-LBPRGKRZSA-N 2 2 215.300 2.269 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000382100729 347171871 /nfs/dbraw/zinc/17/18/71/347171871.db2.gz GLDSCMYJYQBWQM-NRWUCQMLSA-N 2 2 222.376 2.390 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000382100729 347171877 /nfs/dbraw/zinc/17/18/77/347171877.db2.gz GLDSCMYJYQBWQM-NRWUCQMLSA-N 2 2 222.376 2.390 10 0 BEAELP C[N@H+](Cc1cccs1)[C@H]1CCC[C@H]1[NH3+] ZINC000250239083 362797420 /nfs/dbraw/zinc/79/74/20/362797420.db2.gz PXAZIACTDRVCIK-MNOVXSKESA-N 2 2 210.346 2.060 10 0 BEAELP C[N@@H+](Cc1cccs1)[C@H]1CCC[C@H]1[NH3+] ZINC000250239083 362797425 /nfs/dbraw/zinc/79/74/25/362797425.db2.gz PXAZIACTDRVCIK-MNOVXSKESA-N 2 2 210.346 2.060 10 0 BEAELP C[N@@H+]1CCCC[C@H]([NH3+])[C@H]1c1ccsc1 ZINC000250625892 362813760 /nfs/dbraw/zinc/81/37/60/362813760.db2.gz QCBIQUCYHQZHNA-WDEREUQCSA-N 2 2 210.346 2.232 10 0 BEAELP C[N@H+]1CCCC[C@H]([NH3+])[C@H]1c1ccsc1 ZINC000250625892 362813763 /nfs/dbraw/zinc/81/37/63/362813763.db2.gz QCBIQUCYHQZHNA-WDEREUQCSA-N 2 2 210.346 2.232 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)C(C)C)c1 ZINC000022212869 179198708 /nfs/dbraw/zinc/19/87/08/179198708.db2.gz KVXJJOQQQNRCCM-ZDUSSCGKSA-N 2 2 206.333 2.335 10 0 BEAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)C(C)C)c1 ZINC000022212869 179198710 /nfs/dbraw/zinc/19/87/10/179198710.db2.gz KVXJJOQQQNRCCM-ZDUSSCGKSA-N 2 2 206.333 2.335 10 0 BEAELP Cc1cccc2oc([C@@H]([NH3+])Cc3c[nH+]c[nH]3)nc21 ZINC000038052749 179233021 /nfs/dbraw/zinc/23/30/21/179233021.db2.gz PMZQHSMKHLYOND-JTQLQIEISA-N 2 2 242.282 2.102 10 0 BEAELP Cc1ccccc1[N@H+](C)CC1CC[NH2+]CC1 ZINC000049986717 179295060 /nfs/dbraw/zinc/29/50/60/179295060.db2.gz JCEFDBKSDYYVMH-UHFFFAOYSA-N 2 2 218.344 2.431 10 0 BEAELP Cc1ccccc1[N@@H+](C)CC1CC[NH2+]CC1 ZINC000049986717 179295061 /nfs/dbraw/zinc/29/50/61/179295061.db2.gz JCEFDBKSDYYVMH-UHFFFAOYSA-N 2 2 218.344 2.431 10 0 BEAELP CC(C)=CC[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000365425346 187395152 /nfs/dbraw/zinc/39/51/52/187395152.db2.gz DQBSSVQOQDNBOT-LBPRGKRZSA-N 2 2 219.332 2.316 10 0 BEAELP CC(C)=CC[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000365425342 187395178 /nfs/dbraw/zinc/39/51/78/187395178.db2.gz DQBSSVQOQDNBOT-GFCCVEGCSA-N 2 2 219.332 2.316 10 0 BEAELP CC[C@@H](C)[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 ZINC000616578443 349124550 /nfs/dbraw/zinc/12/45/50/349124550.db2.gz OIBAFDPABFARDA-ZYHUDNBSSA-N 2 2 208.349 2.001 10 0 BEAELP c1ccc(C[NH2+][C@H]2C3CC[NH+](CC3)C23CC3)cc1 ZINC000616579416 349161664 /nfs/dbraw/zinc/16/16/64/349161664.db2.gz SVNMJOFEBUPVMQ-HNNXBMFYSA-N 2 2 242.366 2.403 10 0 BEAELP CCCC[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 ZINC000616580600 349258345 /nfs/dbraw/zinc/25/83/45/349258345.db2.gz YSBFENRTYOBBQL-LBPRGKRZSA-N 2 2 208.349 2.003 10 0 BEAELP CC(C)(C)[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000616584165 349328766 /nfs/dbraw/zinc/32/87/66/349328766.db2.gz HZTWEYWLELOQRL-CYBMUJFWSA-N 2 2 218.344 2.343 10 0 BEAELP CC(C)(C)[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000616584165 349328768 /nfs/dbraw/zinc/32/87/68/349328768.db2.gz HZTWEYWLELOQRL-CYBMUJFWSA-N 2 2 218.344 2.343 10 0 BEAELP C[C@H](C[NH3+])[N@@H+]1CCc2sccc2[C@@H]1C ZINC000218328235 350089225 /nfs/dbraw/zinc/08/92/25/350089225.db2.gz IWBFHRBBYDXTBC-BDAKNGLRSA-N 2 2 210.346 2.014 10 0 BEAELP C[C@H](C[NH3+])[N@H+]1CCc2sccc2[C@@H]1C ZINC000218328235 350089227 /nfs/dbraw/zinc/08/92/27/350089227.db2.gz IWBFHRBBYDXTBC-BDAKNGLRSA-N 2 2 210.346 2.014 10 0 BEAELP Cc1nc(NC[C@H]2CCC[NH2+]C2)cc(C(C)C)[nH+]1 ZINC000045954982 180018937 /nfs/dbraw/zinc/01/89/37/180018937.db2.gz ROGXNYHCQHNZNV-LBPRGKRZSA-N 2 2 248.374 2.320 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000133059518 191036949 /nfs/dbraw/zinc/03/69/49/191036949.db2.gz NBODHLMVSXIHSO-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000133059518 191036952 /nfs/dbraw/zinc/03/69/52/191036952.db2.gz NBODHLMVSXIHSO-NWDGAFQWSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304513960 350161075 /nfs/dbraw/zinc/16/10/75/350161075.db2.gz DRCGNHXMUPJQKP-DGAVXFQQSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304513960 350161077 /nfs/dbraw/zinc/16/10/77/350161077.db2.gz DRCGNHXMUPJQKP-DGAVXFQQSA-N 2 2 222.376 2.249 10 0 BEAELP Cc1[nH+]c2ccccc2n1[C@@H](C)CC[NH3+] ZINC000041042673 180104069 /nfs/dbraw/zinc/10/40/69/180104069.db2.gz IDFNXEPEJNCTLG-VIFPVBQESA-N 2 2 203.289 2.255 10 0 BEAELP Cc1[nH+]c2ccccc2n1[C@H](C)[C@@H](C)[NH3+] ZINC000041053915 180104398 /nfs/dbraw/zinc/10/43/98/180104398.db2.gz VDNQPTKYTAJBDP-RKDXNWHRSA-N 2 2 203.289 2.253 10 0 BEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC000178293874 180265169 /nfs/dbraw/zinc/26/51/69/180265169.db2.gz DSOKJAIHGONLGB-PYEVWLCESA-N 2 2 239.750 2.408 10 0 BEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C/C=C/Cl ZINC000178293874 180265173 /nfs/dbraw/zinc/26/51/73/180265173.db2.gz DSOKJAIHGONLGB-PYEVWLCESA-N 2 2 239.750 2.408 10 0 BEAELP Cc1[nH+]ccn1Cc1[nH+]ccn1C(C)C ZINC000299612173 180270299 /nfs/dbraw/zinc/27/02/99/180270299.db2.gz OKEUPGGKNIHPGE-UHFFFAOYSA-N 2 2 204.277 2.017 10 0 BEAELP CC(C)[N@@H+]1CCC[C@H](c2c[nH]c[nH+]2)CC1 ZINC000616600549 350780625 /nfs/dbraw/zinc/78/06/25/350780625.db2.gz DSKKHLIFGXGJRE-NSHDSACASA-N 2 2 207.321 2.388 10 0 BEAELP CC(C)[N@H+]1CCC[C@H](c2c[nH]c[nH+]2)CC1 ZINC000616600549 350780626 /nfs/dbraw/zinc/78/06/26/350780626.db2.gz DSKKHLIFGXGJRE-NSHDSACASA-N 2 2 207.321 2.388 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1cccc2cccnc21 ZINC000616608414 350804662 /nfs/dbraw/zinc/80/46/62/350804662.db2.gz UHMIXKAVDBSXRD-AWEZNQCLSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H]1c1cccc2cccnc21 ZINC000616608414 350804664 /nfs/dbraw/zinc/80/46/64/350804664.db2.gz UHMIXKAVDBSXRD-AWEZNQCLSA-N 2 2 241.338 2.330 10 0 BEAELP CC(C)[N@@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616616952 350858352 /nfs/dbraw/zinc/85/83/52/350858352.db2.gz AYAMAFQCWCEHQO-GFCCVEGCSA-N 2 2 219.332 2.082 10 0 BEAELP CC(C)[N@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616616952 350858353 /nfs/dbraw/zinc/85/83/53/350858353.db2.gz AYAMAFQCWCEHQO-GFCCVEGCSA-N 2 2 219.332 2.082 10 0 BEAELP CC(C)(C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616621056 350948741 /nfs/dbraw/zinc/94/87/41/350948741.db2.gz OMAXTDMEAZXGES-SNVBAGLBSA-N 2 2 207.321 2.388 10 0 BEAELP CC(C)(C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616621056 350948746 /nfs/dbraw/zinc/94/87/46/350948746.db2.gz OMAXTDMEAZXGES-SNVBAGLBSA-N 2 2 207.321 2.388 10 0 BEAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cccc(F)c2)C1 ZINC000616629999 351101608 /nfs/dbraw/zinc/10/16/08/351101608.db2.gz XKXCHMIDSZJBGD-ZDUSSCGKSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cccc(F)c2)C1 ZINC000616629999 351101613 /nfs/dbraw/zinc/10/16/13/351101613.db2.gz XKXCHMIDSZJBGD-ZDUSSCGKSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1nccc2ccccc21 ZINC000616633567 351115586 /nfs/dbraw/zinc/11/55/86/351115586.db2.gz MJCWTLJAKOFTAE-CQSZACIVSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1nccc2ccccc21 ZINC000616633567 351115587 /nfs/dbraw/zinc/11/55/87/351115587.db2.gz MJCWTLJAKOFTAE-CQSZACIVSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccccc1CO ZINC000616623190 351088633 /nfs/dbraw/zinc/08/86/33/351088633.db2.gz CGSZYBYSEZLNOB-OAHLLOKOSA-N 2 2 248.370 2.055 10 0 BEAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccccc1CO ZINC000616623190 351088634 /nfs/dbraw/zinc/08/86/34/351088634.db2.gz CGSZYBYSEZLNOB-OAHLLOKOSA-N 2 2 248.370 2.055 10 0 BEAELP CC(C)[N@@H+]1CCCC[C@@H](n2cc[nH+]c2)C1 ZINC000616654856 351192135 /nfs/dbraw/zinc/19/21/35/351192135.db2.gz PTSZQAKSUQZHQM-GFCCVEGCSA-N 2 2 207.321 2.319 10 0 BEAELP CC(C)[N@H+]1CCCC[C@@H](n2cc[nH+]c2)C1 ZINC000616654856 351192137 /nfs/dbraw/zinc/19/21/37/351192137.db2.gz PTSZQAKSUQZHQM-GFCCVEGCSA-N 2 2 207.321 2.319 10 0 BEAELP CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616666577 351226826 /nfs/dbraw/zinc/22/68/26/351226826.db2.gz YYZDOOINHZMKBV-GFCCVEGCSA-N 2 2 249.358 2.056 10 0 BEAELP CC(C)(C)[N@H+]1CCO[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616666577 351226828 /nfs/dbraw/zinc/22/68/28/351226828.db2.gz YYZDOOINHZMKBV-GFCCVEGCSA-N 2 2 249.358 2.056 10 0 BEAELP c1ccc(C[NH2+]CC[NH2+]CCC2CC2)cc1 ZINC000307483957 352619863 /nfs/dbraw/zinc/61/98/63/352619863.db2.gz SWYKIIUYWLANJR-UHFFFAOYSA-N 2 2 218.344 2.166 10 0 BEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CC(C)C)cc1 ZINC000020225879 188108882 /nfs/dbraw/zinc/10/88/82/188108882.db2.gz UQEISUBSXJNOJA-AWEZNQCLSA-N 2 2 236.359 2.283 10 0 BEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CC(C)C)cc1 ZINC000020225879 188108884 /nfs/dbraw/zinc/10/88/84/188108884.db2.gz UQEISUBSXJNOJA-AWEZNQCLSA-N 2 2 236.359 2.283 10 0 BEAELP CC(C)C[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccccn1 ZINC000088324920 188144287 /nfs/dbraw/zinc/14/42/87/188144287.db2.gz DRLNGEHRTXRBAF-JSGCOSHPSA-N 2 2 235.375 2.448 10 0 BEAELP Cc1ccc(C)c(C[NH2+]CCc2[nH+]ccn2C)c1 ZINC000049670309 188125369 /nfs/dbraw/zinc/12/53/69/188125369.db2.gz YGTZLBNVMLKFLO-UHFFFAOYSA-N 2 2 243.354 2.369 10 0 BEAELP CC(C)[NH+]1CCC(=Cc2c[nH]c[nH+]2)CC1 ZINC000013612851 188166639 /nfs/dbraw/zinc/16/66/39/188166639.db2.gz XKODEEQXNYDOBE-UHFFFAOYSA-N 2 2 205.305 2.297 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@@H]1C ZINC000336746238 188169215 /nfs/dbraw/zinc/16/92/15/188169215.db2.gz BSBDLEFAMGIKTJ-YNEHKIRRSA-N 2 2 212.381 2.208 10 0 BEAELP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1(C)CC1 ZINC000122802007 324058665 /nfs/dbraw/zinc/05/86/65/324058665.db2.gz BFJVONPXPVDOGQ-WOPDTQHZSA-N 2 2 222.376 2.390 10 0 BEAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000366833386 353927682 /nfs/dbraw/zinc/92/76/82/353927682.db2.gz KQFRDBZYBIRVDQ-AWEZNQCLSA-N 2 2 240.391 2.020 10 0 BEAELP CC(C)[NH2+]CC[N@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000366833386 353927685 /nfs/dbraw/zinc/92/76/85/353927685.db2.gz KQFRDBZYBIRVDQ-AWEZNQCLSA-N 2 2 240.391 2.020 10 0 BEAELP c1cc2cc(C[NH2+][C@@H]3CC[NH2+]C3)ccc2s1 ZINC000335222543 355063604 /nfs/dbraw/zinc/06/36/04/355063604.db2.gz IDQDCNCSSBFVMU-GFCCVEGCSA-N 2 2 232.352 2.353 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000040502461 358493886 /nfs/dbraw/zinc/49/38/86/358493886.db2.gz JELFVAGICDKGQI-KBPBESRZSA-N 2 2 222.376 2.417 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000040502461 358493888 /nfs/dbraw/zinc/49/38/88/358493888.db2.gz JELFVAGICDKGQI-KBPBESRZSA-N 2 2 222.376 2.417 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000389180669 355763645 /nfs/dbraw/zinc/76/36/45/355763645.db2.gz QHVWLFVHRUBEMP-QWHCGFSZSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000389180669 355763649 /nfs/dbraw/zinc/76/36/49/355763649.db2.gz QHVWLFVHRUBEMP-QWHCGFSZSA-N 2 2 212.381 2.352 10 0 BEAELP CN(CCC[NH3+])c1ccc2ccccc2[nH+]1 ZINC000019834390 356706289 /nfs/dbraw/zinc/70/62/89/356706289.db2.gz WWSMEMOGVALGEH-UHFFFAOYSA-N 2 2 215.300 2.020 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000389540753 356985768 /nfs/dbraw/zinc/98/57/68/356985768.db2.gz KFADBHDOJRRAHR-FRRDWIJNSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000389540753 356985769 /nfs/dbraw/zinc/98/57/69/356985769.db2.gz KFADBHDOJRRAHR-FRRDWIJNSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)C1 ZINC000389586871 356995871 /nfs/dbraw/zinc/99/58/71/356995871.db2.gz ZCLLSMKBPCVGDQ-RFQIPJPRSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)C1 ZINC000389586871 356995874 /nfs/dbraw/zinc/99/58/74/356995874.db2.gz ZCLLSMKBPCVGDQ-RFQIPJPRSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000389557919 538822215 /nfs/dbraw/zinc/82/22/15/538822215.db2.gz SKBYOKAGSLRSTF-AAEUAGOBSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000389557919 538822222 /nfs/dbraw/zinc/82/22/22/538822222.db2.gz SKBYOKAGSLRSTF-AAEUAGOBSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000389557922 538822596 /nfs/dbraw/zinc/82/25/96/538822596.db2.gz SKBYOKAGSLRSTF-YPMHNXCESA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000389557922 538822599 /nfs/dbraw/zinc/82/25/99/538822599.db2.gz SKBYOKAGSLRSTF-YPMHNXCESA-N 2 2 210.365 2.249 10 0 BEAELP Cc1ccc(N[C@H](C)[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000584457368 357973722 /nfs/dbraw/zinc/97/37/22/357973722.db2.gz RDYMRTLKXDPAKL-NEPJUHHUSA-N 2 2 219.332 2.190 10 0 BEAELP CCCC[C@@H](COC)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000133045204 358744287 /nfs/dbraw/zinc/74/42/87/358744287.db2.gz FLQZQMOMWWMZQC-KGLIPLIRSA-N 2 2 242.407 2.266 10 0 BEAELP CCCC[C@@H](COC)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000133045204 358744288 /nfs/dbraw/zinc/74/42/88/358744288.db2.gz FLQZQMOMWWMZQC-KGLIPLIRSA-N 2 2 242.407 2.266 10 0 BEAELP CC(C)[C@@H]([NH3+])CCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000133613721 358761049 /nfs/dbraw/zinc/76/10/49/358761049.db2.gz IOMRXZZWRFPCPJ-NSHDSACASA-N 2 2 246.358 2.373 10 0 BEAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1cccc(O)c1 ZINC000396637452 358942525 /nfs/dbraw/zinc/94/25/25/358942525.db2.gz AKIAJWFKZSFLDV-WDMOLILDSA-N 2 2 234.343 2.183 10 0 BEAELP CC[C@H]([NH2+][C@H]1C[N@H+](CC)C[C@@H]1C)C1CC1 ZINC000309171495 491145796 /nfs/dbraw/zinc/14/57/96/491145796.db2.gz LKUKINDZXYCEHO-DRZSPHRISA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@H]([NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C)C1CC1 ZINC000309171495 491145797 /nfs/dbraw/zinc/14/57/97/491145797.db2.gz LKUKINDZXYCEHO-DRZSPHRISA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CC2CCC2)[C@@H](C)C1 ZINC000309975086 491159227 /nfs/dbraw/zinc/15/92/27/491159227.db2.gz SCYQNWHKTVGTAA-OBJOEFQTSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CC2CCC2)[C@@H](C)C1 ZINC000309975086 491159228 /nfs/dbraw/zinc/15/92/28/491159228.db2.gz SCYQNWHKTVGTAA-OBJOEFQTSA-N 2 2 224.392 2.495 10 0 BEAELP [NH3+]C1CCC(Nc2cn[nH+]c3ccccc23)CC1 ZINC000104430614 181342234 /nfs/dbraw/zinc/34/22/34/181342234.db2.gz ZPGONEKPNXGZNS-UHFFFAOYSA-N 2 2 242.326 2.312 10 0 BEAELP C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000393852984 541375924 /nfs/dbraw/zinc/37/59/24/541375924.db2.gz OICIYLBQWSZNIZ-HBNTYKKESA-N 2 2 228.405 2.001 10 0 BEAELP [NH3+]CC[N@@H+](Cc1ccccn1)CC1CCCCC1 ZINC000076633097 181390143 /nfs/dbraw/zinc/39/01/43/181390143.db2.gz KNMPPUKNGVSABF-UHFFFAOYSA-N 2 2 247.386 2.423 10 0 BEAELP [NH3+]CC[N@H+](Cc1ccccn1)CC1CCCCC1 ZINC000076633097 181390145 /nfs/dbraw/zinc/39/01/45/181390145.db2.gz KNMPPUKNGVSABF-UHFFFAOYSA-N 2 2 247.386 2.423 10 0 BEAELP [NH3+]CC[N@@H+](Cc1ccncc1)CC1CCCCC1 ZINC000076633104 181391018 /nfs/dbraw/zinc/39/10/18/181391018.db2.gz LZBPXSMFQWFKCL-UHFFFAOYSA-N 2 2 247.386 2.423 10 0 BEAELP [NH3+]CC[N@H+](Cc1ccncc1)CC1CCCCC1 ZINC000076633104 181391021 /nfs/dbraw/zinc/39/10/21/181391021.db2.gz LZBPXSMFQWFKCL-UHFFFAOYSA-N 2 2 247.386 2.423 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000576173405 365510350 /nfs/dbraw/zinc/51/03/50/365510350.db2.gz OXLMXPRGCMSYKV-NEPJUHHUSA-N 2 2 208.349 2.003 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000576173405 365510353 /nfs/dbraw/zinc/51/03/53/365510353.db2.gz OXLMXPRGCMSYKV-NEPJUHHUSA-N 2 2 208.349 2.003 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384501093 367694023 /nfs/dbraw/zinc/69/40/23/367694023.db2.gz CKJAHLIZIPEMBT-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384501093 367694029 /nfs/dbraw/zinc/69/40/29/367694029.db2.gz CKJAHLIZIPEMBT-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP C[N@H+]1[C@@H]2CC[C@H]1CC[C@@]2([NH3+])c1ccccc1 ZINC000091691015 369016318 /nfs/dbraw/zinc/01/63/18/369016318.db2.gz RGVBTQKERKUAGP-BFHYXJOUSA-N 2 2 216.328 2.097 10 0 BEAELP C[N@@H+]1[C@@H]2CC[C@H]1CC[C@@]2([NH3+])c1ccccc1 ZINC000091691015 369016321 /nfs/dbraw/zinc/01/63/21/369016321.db2.gz RGVBTQKERKUAGP-BFHYXJOUSA-N 2 2 216.328 2.097 10 0 BEAELP [NH3+]Cc1ccc(-n2cc[nH+]c2)cc1C(F)(F)F ZINC000036805701 181479385 /nfs/dbraw/zinc/47/93/85/181479385.db2.gz RDVPXIOETDTRDO-UHFFFAOYSA-N 2 2 241.216 2.350 10 0 BEAELP CC(C)[NH2+]C[C@@H](C)[NH2+]Cc1ccccc1 ZINC000162332879 371660509 /nfs/dbraw/zinc/66/05/09/371660509.db2.gz UXFAQUPFHJWZMV-GFCCVEGCSA-N 2 2 206.333 2.163 10 0 BEAELP [NH3+][C@@H](C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000040409711 373241064 /nfs/dbraw/zinc/24/10/64/373241064.db2.gz LAFZPOPTZGZPHA-HNNXBMFYSA-N 2 2 226.323 2.476 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799379 373807901 /nfs/dbraw/zinc/80/79/01/373807901.db2.gz OHWMLHVCDQOEQZ-MNOVXSKESA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799379 373807905 /nfs/dbraw/zinc/80/79/05/373807905.db2.gz OHWMLHVCDQOEQZ-MNOVXSKESA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000042975097 374313473 /nfs/dbraw/zinc/31/34/73/374313473.db2.gz UXYJAUSHLNYSMD-GZMMTYOYSA-N 2 2 212.724 2.290 10 0 BEAELP CC[NH2+]C(C)(C)C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000061299954 170107884 /nfs/dbraw/zinc/10/78/84/170107884.db2.gz XTHSRPBOXWTISB-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP CC[NH2+]C(C)(C)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000061299954 170107885 /nfs/dbraw/zinc/10/78/85/170107885.db2.gz XTHSRPBOXWTISB-NEPJUHHUSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccc(OCC)cc1 ZINC000020226249 169086880 /nfs/dbraw/zinc/08/68/80/169086880.db2.gz AHKVLIKWRYLQOI-CQSZACIVSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[N@@H+](C)[C@H](C[NH3+])c1ccc(OCC)cc1 ZINC000020226249 169086882 /nfs/dbraw/zinc/08/68/82/169086882.db2.gz AHKVLIKWRYLQOI-CQSZACIVSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[N@H+](C)[C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043026297 169088169 /nfs/dbraw/zinc/08/81/69/169088169.db2.gz XGDWLSOZCWLURB-RISCZKNCSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[N@@H+](C)[C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043026297 169088171 /nfs/dbraw/zinc/08/81/71/169088171.db2.gz XGDWLSOZCWLURB-RISCZKNCSA-N 2 2 236.359 2.425 10 0 BEAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccco1 ZINC000019795927 169151202 /nfs/dbraw/zinc/15/12/02/169151202.db2.gz GXWBYYWMBFLSPJ-NSHDSACASA-N 2 2 210.321 2.401 10 0 BEAELP CCC[N@H+](CC)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000037094706 169132342 /nfs/dbraw/zinc/13/23/42/169132342.db2.gz YKXGOJIXZBXEOI-CQSZACIVSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000037094706 169132346 /nfs/dbraw/zinc/13/23/46/169132346.db2.gz YKXGOJIXZBXEOI-CQSZACIVSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[N@@H+]1CCCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000301399095 169193308 /nfs/dbraw/zinc/19/33/08/169193308.db2.gz OUAVHQJRLUOEIC-UHFFFAOYSA-N 2 2 248.374 2.016 10 0 BEAELP CCC[N@H+]1CCCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000301399095 169193309 /nfs/dbraw/zinc/19/33/09/169193309.db2.gz OUAVHQJRLUOEIC-UHFFFAOYSA-N 2 2 248.374 2.016 10 0 BEAELP CCC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000053654647 169262564 /nfs/dbraw/zinc/26/25/64/169262564.db2.gz JLGNASYKHQTYFW-HNNXBMFYSA-N 2 2 247.386 2.293 10 0 BEAELP CCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000053654647 169262565 /nfs/dbraw/zinc/26/25/65/169262565.db2.gz JLGNASYKHQTYFW-HNNXBMFYSA-N 2 2 247.386 2.293 10 0 BEAELP CCC[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCO1 ZINC000053651177 169262621 /nfs/dbraw/zinc/26/26/21/169262621.db2.gz BEVNLKRFCLTMGP-KBPBESRZSA-N 2 2 240.391 2.020 10 0 BEAELP CCC[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000053651177 169262622 /nfs/dbraw/zinc/26/26/22/169262622.db2.gz BEVNLKRFCLTMGP-KBPBESRZSA-N 2 2 240.391 2.020 10 0 BEAELP CCC[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCO1 ZINC000053651179 169264460 /nfs/dbraw/zinc/26/44/60/169264460.db2.gz BEVNLKRFCLTMGP-KGLIPLIRSA-N 2 2 240.391 2.020 10 0 BEAELP CCC[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000053651179 169264461 /nfs/dbraw/zinc/26/44/61/169264461.db2.gz BEVNLKRFCLTMGP-KGLIPLIRSA-N 2 2 240.391 2.020 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1C ZINC000049712447 169283352 /nfs/dbraw/zinc/28/33/52/169283352.db2.gz JJISCRYVMPDVFM-DZGCQCFKSA-N 2 2 247.386 2.292 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1C ZINC000049712447 169283354 /nfs/dbraw/zinc/28/33/54/169283354.db2.gz JJISCRYVMPDVFM-DZGCQCFKSA-N 2 2 247.386 2.292 10 0 BEAELP c1ccc(OCCC[NH2+]CC[NH+]2CCCC2)cc1 ZINC000059382865 183418823 /nfs/dbraw/zinc/41/88/23/183418823.db2.gz VNEPHEYTVIPNLN-UHFFFAOYSA-N 2 2 248.370 2.141 10 0 BEAELP CCCO[C@H]1CCC[N@H+](CC(C)(C)[NH2+]CC)C1 ZINC000061299842 169312537 /nfs/dbraw/zinc/31/25/37/169312537.db2.gz UWFKIXVXZVIBGH-ZDUSSCGKSA-N 2 2 242.407 2.266 10 0 BEAELP CCCO[C@H]1CCC[N@@H+](CC(C)(C)[NH2+]CC)C1 ZINC000061299842 169312538 /nfs/dbraw/zinc/31/25/38/169312538.db2.gz UWFKIXVXZVIBGH-ZDUSSCGKSA-N 2 2 242.407 2.266 10 0 BEAELP c1ccc2[nH+]c(NC3CC[NH2+]CC3)ccc2c1 ZINC000019474365 183458344 /nfs/dbraw/zinc/45/83/44/183458344.db2.gz GETMYIQPPRWERL-UHFFFAOYSA-N 2 2 227.311 2.399 10 0 BEAELP CCCOc1ccc([C@@H](C[NH3+])[N@H+](C)CC)cc1 ZINC000020226548 169320792 /nfs/dbraw/zinc/32/07/92/169320792.db2.gz YASQBVDKVBYQTN-CQSZACIVSA-N 2 2 236.359 2.427 10 0 BEAELP CCCOc1ccc([C@@H](C[NH3+])[N@@H+](C)CC)cc1 ZINC000020226548 169320793 /nfs/dbraw/zinc/32/07/93/169320793.db2.gz YASQBVDKVBYQTN-CQSZACIVSA-N 2 2 236.359 2.427 10 0 BEAELP CCC[C@@H](C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000019388320 169384165 /nfs/dbraw/zinc/38/41/65/169384165.db2.gz RXXFRPYWBFOLQN-ZDUSSCGKSA-N 2 2 206.333 2.246 10 0 BEAELP CCC[C@@H](C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000019388320 169384166 /nfs/dbraw/zinc/38/41/66/169384166.db2.gz RXXFRPYWBFOLQN-ZDUSSCGKSA-N 2 2 206.333 2.246 10 0 BEAELP C[C@@H]([NH3+])[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000043114975 384251182 /nfs/dbraw/zinc/25/11/82/384251182.db2.gz MKAZJKMXJKZHBH-MWLCHTKSSA-N 2 2 210.346 2.232 10 0 BEAELP CC[C@@H]([NH2+]CC[NH+]1CCCC1)C(C)(C)C ZINC000309191172 384421076 /nfs/dbraw/zinc/42/10/76/384421076.db2.gz PQRNGFZYZYOAAQ-GFCCVEGCSA-N 2 2 212.381 2.497 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1cccc(-c2ccccc2)c1 ZINC000044468874 384734888 /nfs/dbraw/zinc/73/48/88/384734888.db2.gz RGWXDRWEMCMNMG-CQSZACIVSA-N 2 2 212.296 2.312 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000044473136 384743164 /nfs/dbraw/zinc/74/31/64/384743164.db2.gz NWSOYVDAPWCURP-MRVPVSSYSA-N 2 2 238.640 2.317 10 0 BEAELP CCC[C@H](C(=O)Nc1cc[nH+]cc1C)[NH+](C)C ZINC000153519380 385261993 /nfs/dbraw/zinc/26/19/93/385261993.db2.gz ZJMZMYKMDFSWII-GFCCVEGCSA-N 2 2 235.331 2.059 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000178472738 385286052 /nfs/dbraw/zinc/28/60/52/385286052.db2.gz KJLAUFJWZIBWII-AAEUAGOBSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000178472738 385286057 /nfs/dbraw/zinc/28/60/57/385286057.db2.gz KJLAUFJWZIBWII-AAEUAGOBSA-N 2 2 210.365 2.249 10 0 BEAELP C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000034663902 385289641 /nfs/dbraw/zinc/28/96/41/385289641.db2.gz OLTBMNIDDCGCAV-VIFPVBQESA-N 2 2 219.263 2.292 10 0 BEAELP CSCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178315689 385355111 /nfs/dbraw/zinc/35/51/11/385355111.db2.gz WGQJQCOFEHLEIV-LBPRGKRZSA-N 2 2 239.388 2.019 10 0 BEAELP CSCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178315689 385355114 /nfs/dbraw/zinc/35/51/14/385355114.db2.gz WGQJQCOFEHLEIV-LBPRGKRZSA-N 2 2 239.388 2.019 10 0 BEAELP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000336770232 386010082 /nfs/dbraw/zinc/01/00/82/386010082.db2.gz VKWFQQKELARCOF-XQQFMLRXSA-N 2 2 212.381 2.495 10 0 BEAELP [NH3+]CC[C@@H]([NH3+])c1cc(Cl)c(O)c(Cl)c1 ZINC000575439451 387123492 /nfs/dbraw/zinc/12/34/92/387123492.db2.gz MEDFFGYKCPXMGK-MRVPVSSYSA-N 2 2 235.114 2.048 10 0 BEAELP Cc1cc[nH+]cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250863382 387176096 /nfs/dbraw/zinc/17/60/96/387176096.db2.gz FBPKKIOGQGLNBJ-STQMWFEESA-N 2 2 231.343 2.429 10 0 BEAELP Cc1cc[nH+]cc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250863382 387176103 /nfs/dbraw/zinc/17/61/03/387176103.db2.gz FBPKKIOGQGLNBJ-STQMWFEESA-N 2 2 231.343 2.429 10 0 BEAELP FCC[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000285707784 387281459 /nfs/dbraw/zinc/28/14/59/387281459.db2.gz PJMATPSIJIWKCB-NEPJUHHUSA-N 2 2 225.311 2.001 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 ZINC000321758409 387301560 /nfs/dbraw/zinc/30/15/60/387301560.db2.gz CFNNFXZCXLOTPP-FVCCEPFGSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 ZINC000321758409 387301564 /nfs/dbraw/zinc/30/15/64/387301564.db2.gz CFNNFXZCXLOTPP-FVCCEPFGSA-N 2 2 210.365 2.105 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000035677032 387438084 /nfs/dbraw/zinc/43/80/84/387438084.db2.gz NDPPMYOFLQQIAG-QMMMGPOBSA-N 2 2 236.262 2.257 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043428106 387653691 /nfs/dbraw/zinc/65/36/91/387653691.db2.gz GDEYBYFOSMAWJU-IHRRRGAJSA-N 2 2 240.391 2.003 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043428106 387653701 /nfs/dbraw/zinc/65/37/01/387653701.db2.gz GDEYBYFOSMAWJU-IHRRRGAJSA-N 2 2 240.391 2.003 10 0 BEAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396634948 387926647 /nfs/dbraw/zinc/92/66/47/387926647.db2.gz KCSMBQDUQCVQRJ-SLEUVZQESA-N 2 2 248.370 2.486 10 0 BEAELP CC[C@@H](C)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000245593814 387963387 /nfs/dbraw/zinc/96/33/87/387963387.db2.gz BEYVFLZKNSLJGV-OLZOCXBDSA-N 2 2 221.348 2.394 10 0 BEAELP CC[C@@H](C)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000245593814 387963391 /nfs/dbraw/zinc/96/33/91/387963391.db2.gz BEYVFLZKNSLJGV-OLZOCXBDSA-N 2 2 221.348 2.394 10 0 BEAELP CC[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000248374975 388677360 /nfs/dbraw/zinc/67/73/60/388677360.db2.gz VJBXDPPYYGZHJN-AAEUAGOBSA-N 2 2 221.348 2.454 10 0 BEAELP CC[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000248374975 388677362 /nfs/dbraw/zinc/67/73/62/388677362.db2.gz VJBXDPPYYGZHJN-AAEUAGOBSA-N 2 2 221.348 2.454 10 0 BEAELP CC[C@H]1CCCN(c2cc[nH+]c(C[NH3+])c2)C1 ZINC000051396978 132360487 /nfs/dbraw/zinc/36/04/87/132360487.db2.gz PEZNMLNJGDKOKU-NSHDSACASA-N 2 2 219.332 2.167 10 0 BEAELP C[C@@H]1C[C@H]([NH3+])CCN1c1ccc([NH+](C)C)cc1 ZINC000049711480 132357655 /nfs/dbraw/zinc/35/76/55/132357655.db2.gz QDBHHJFGTHCFNB-VXGBXAGGSA-N 2 2 233.359 2.069 10 0 BEAELP CC[C@H]1CCCCN1c1cc[nH+]c(C[NH3+])c1 ZINC000051396657 132360153 /nfs/dbraw/zinc/36/01/53/132360153.db2.gz DASWLLWOWBXEKR-LBPRGKRZSA-N 2 2 219.332 2.309 10 0 BEAELP C[C@@H]1C[NH2+]C(C)(C)CN1c1ccc([NH+](C)C)cc1 ZINC000058449485 132368258 /nfs/dbraw/zinc/36/82/58/132368258.db2.gz PXPSSDUWGDAPLP-GFCCVEGCSA-N 2 2 247.386 2.329 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@H]1CCSC1 ZINC000224377127 134346374 /nfs/dbraw/zinc/34/63/74/134346374.db2.gz WWMZDIYBTDJMJP-CHWSQXEVSA-N 2 2 244.448 2.305 10 0 BEAELP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000251863873 135080219 /nfs/dbraw/zinc/08/02/19/135080219.db2.gz OUHDEXDCASUPAF-XQQFMLRXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000251863873 135080220 /nfs/dbraw/zinc/08/02/20/135080220.db2.gz OUHDEXDCASUPAF-XQQFMLRXSA-N 2 2 212.381 2.495 10 0 BEAELP C[C@H]1CC[N@H+](Cc2ccccc2F)[C@H](C[NH3+])C1 ZINC000261541941 135181596 /nfs/dbraw/zinc/18/15/96/135181596.db2.gz MTWYKUKJOALOHN-AAEUAGOBSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2ccccc2F)[C@H](C[NH3+])C1 ZINC000261541941 135181598 /nfs/dbraw/zinc/18/15/98/135181598.db2.gz MTWYKUKJOALOHN-AAEUAGOBSA-N 2 2 236.334 2.385 10 0 BEAELP Cc1cnc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)o1 ZINC000348364492 136073104 /nfs/dbraw/zinc/07/31/04/136073104.db2.gz YNFRARAWWGPJJL-NSHDSACASA-N 2 2 248.330 2.229 10 0 BEAELP CC(C)[NH2+][C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000050270786 167133027 /nfs/dbraw/zinc/13/30/27/167133027.db2.gz HIFNDHOONVHYAO-NSHDSACASA-N 2 2 244.285 2.286 10 0 BEAELP C[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000394512569 410805950 /nfs/dbraw/zinc/80/59/50/410805950.db2.gz OXTMPAMNCWSEQY-VXGBXAGGSA-N 2 2 246.345 2.496 10 0 BEAELP C[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000394512569 410805956 /nfs/dbraw/zinc/80/59/56/410805956.db2.gz OXTMPAMNCWSEQY-VXGBXAGGSA-N 2 2 246.345 2.496 10 0 BEAELP [NH3+]CC1(CCNc2ccc3ccccc3[nH+]2)CC1 ZINC000395866288 410866291 /nfs/dbraw/zinc/86/62/91/410866291.db2.gz HBKOWBITDVVLOZ-UHFFFAOYSA-N 2 2 241.338 2.198 10 0 BEAELP CC(C)C[NH2+]CC[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000052481941 167004890 /nfs/dbraw/zinc/00/48/90/167004890.db2.gz FCGNWGANKISTBC-CYBMUJFWSA-N 2 2 242.407 2.121 10 0 BEAELP CC(C)C[NH2+]CC[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000052481941 167004893 /nfs/dbraw/zinc/00/48/93/167004893.db2.gz FCGNWGANKISTBC-CYBMUJFWSA-N 2 2 242.407 2.121 10 0 BEAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000336691022 167034240 /nfs/dbraw/zinc/03/42/40/167034240.db2.gz WPIMPDDQSUFNKL-LOWDOPEQSA-N 2 2 242.432 2.056 10 0 BEAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000336691022 167034243 /nfs/dbraw/zinc/03/42/43/167034243.db2.gz WPIMPDDQSUFNKL-LOWDOPEQSA-N 2 2 242.432 2.056 10 0 BEAELP CC(C)[NH2+]CC[NH2+][C@@H](C)c1ccccc1 ZINC000039207839 167107155 /nfs/dbraw/zinc/10/71/55/167107155.db2.gz YSUSVZXIZYOTGX-LBPRGKRZSA-N 2 2 206.333 2.335 10 0 BEAELP CC(C)[NH2+][C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711585 167133263 /nfs/dbraw/zinc/13/32/63/167133263.db2.gz TTXJRELZAYEQAN-JTQLQIEISA-N 2 2 232.249 2.102 10 0 BEAELP CC(C)OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000053652194 167231524 /nfs/dbraw/zinc/23/15/24/167231524.db2.gz QDDAMQBDBWYMAE-CQSZACIVSA-N 2 2 240.391 2.018 10 0 BEAELP CC(C)OCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000053652194 167231528 /nfs/dbraw/zinc/23/15/28/167231528.db2.gz QDDAMQBDBWYMAE-CQSZACIVSA-N 2 2 240.391 2.018 10 0 BEAELP CC1CCC(C[NH3+])([N@H+](C)Cc2ccncc2)CC1 ZINC000036775752 168154349 /nfs/dbraw/zinc/15/43/49/168154349.db2.gz OAXDKCMLNCKPIN-UHFFFAOYSA-N 2 2 247.386 2.421 10 0 BEAELP CC1CCC(C[NH3+])([N@@H+](C)Cc2ccncc2)CC1 ZINC000036775752 168154352 /nfs/dbraw/zinc/15/43/52/168154352.db2.gz OAXDKCMLNCKPIN-UHFFFAOYSA-N 2 2 247.386 2.421 10 0 BEAELP CC1CC[NH+]([C@H](C[NH3+])c2ccsc2)CC1 ZINC000022175280 168187526 /nfs/dbraw/zinc/18/75/26/168187526.db2.gz PUBJOMJWVIUMEB-GFCCVEGCSA-N 2 2 224.373 2.480 10 0 BEAELP C[C@H]([NH3+])[C@@H](c1ccco1)[NH+]1CCC(C)CC1 ZINC000043334296 168187822 /nfs/dbraw/zinc/18/78/22/168187822.db2.gz QVIUFXGLGQAOBF-AAEUAGOBSA-N 2 2 222.332 2.400 10 0 BEAELP CC1CC[NH+]([C@H]2C[C@@H](C)CC[C@@H]2[NH3+])CC1 ZINC000023069621 168187914 /nfs/dbraw/zinc/18/79/14/168187914.db2.gz VNHAAJAJYUQMII-AVGNSLFASA-N 2 2 210.365 2.234 10 0 BEAELP CCC(=O)CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000190266827 168203142 /nfs/dbraw/zinc/20/31/42/168203142.db2.gz UCBGWPQIUQYFFR-ZDUSSCGKSA-N 2 2 249.358 2.025 10 0 BEAELP CCC(=O)CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000190266827 168203146 /nfs/dbraw/zinc/20/31/46/168203146.db2.gz UCBGWPQIUQYFFR-ZDUSSCGKSA-N 2 2 249.358 2.025 10 0 BEAELP C[C@H]1C[C@@H](C[NH3+])CN1c1[nH+]ccc2ccccc21 ZINC000216238156 411384907 /nfs/dbraw/zinc/38/49/07/411384907.db2.gz DWAAZSAOXAGESW-RYUDHWBXSA-N 2 2 241.338 2.408 10 0 BEAELP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(C)n2C)o1 ZINC000657293304 411450208 /nfs/dbraw/zinc/45/02/08/411450208.db2.gz ZIOWFRHCFKIKHB-SNVBAGLBSA-N 2 2 233.315 2.481 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000334578974 170013954 /nfs/dbraw/zinc/01/39/54/170013954.db2.gz MZSZOWFDNNGMKS-UKRRQHHQSA-N 2 2 248.345 2.497 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000334578974 170013955 /nfs/dbraw/zinc/01/39/55/170013955.db2.gz MZSZOWFDNNGMKS-UKRRQHHQSA-N 2 2 248.345 2.497 10 0 BEAELP CC[N@@H+]1CCc2nc([C@@H]([NH3+])C(C)C)sc2C1 ZINC000041059369 170025244 /nfs/dbraw/zinc/02/52/44/170025244.db2.gz ASBNXVMPSFMOHN-NSHDSACASA-N 2 2 239.388 2.177 10 0 BEAELP CC[N@H+]1CCc2nc([C@@H]([NH3+])C(C)C)sc2C1 ZINC000041059369 170025245 /nfs/dbraw/zinc/02/52/45/170025245.db2.gz ASBNXVMPSFMOHN-NSHDSACASA-N 2 2 239.388 2.177 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000336778427 170039477 /nfs/dbraw/zinc/03/94/77/170039477.db2.gz LIMOKJHHXAGNLE-RWMBFGLXSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000336778427 170039478 /nfs/dbraw/zinc/03/94/78/170039478.db2.gz LIMOKJHHXAGNLE-RWMBFGLXSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000309959773 170039936 /nfs/dbraw/zinc/03/99/36/170039936.db2.gz KKYDHBHGWKIHKH-OUCADQQQSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000309959773 170039938 /nfs/dbraw/zinc/03/99/38/170039938.db2.gz KKYDHBHGWKIHKH-OUCADQQQSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000336779664 170040224 /nfs/dbraw/zinc/04/02/24/170040224.db2.gz PCTCJRBLXIDJPX-IGQOVBAYSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000336779664 170040225 /nfs/dbraw/zinc/04/02/25/170040225.db2.gz PCTCJRBLXIDJPX-IGQOVBAYSA-N 2 2 224.392 2.495 10 0 BEAELP CC[NH2+]C1CC[NH+]([C@@H](C)c2ccco2)CC1 ZINC000035739389 170109681 /nfs/dbraw/zinc/10/96/81/170109681.db2.gz VMAVEIWXMANYTF-NSHDSACASA-N 2 2 222.332 2.415 10 0 BEAELP CC[NH2+]C[C@@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000104409043 170119702 /nfs/dbraw/zinc/11/97/02/170119702.db2.gz DCJVZTKUUJJPIM-HNNXBMFYSA-N 2 2 247.386 2.088 10 0 BEAELP CC[NH2+]C[C@@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000104409043 170119704 /nfs/dbraw/zinc/11/97/04/170119704.db2.gz DCJVZTKUUJJPIM-HNNXBMFYSA-N 2 2 247.386 2.088 10 0 BEAELP CC[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000052419058 170121853 /nfs/dbraw/zinc/12/18/53/170121853.db2.gz ANEZKGDVJOGTQM-LBPRGKRZSA-N 2 2 218.344 2.043 10 0 BEAELP CC[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000052419058 170121854 /nfs/dbraw/zinc/12/18/54/170121854.db2.gz ANEZKGDVJOGTQM-LBPRGKRZSA-N 2 2 218.344 2.043 10 0 BEAELP CC[NH2+]Cc1sc(C[NH+](C)C)nc1C(C)C ZINC000082431494 170133145 /nfs/dbraw/zinc/13/31/45/170133145.db2.gz RJNZNZWVUWMVGF-UHFFFAOYSA-N 2 2 241.404 2.438 10 0 BEAELP CC[NH2+][C@@H](C)CC[N@@H+]1CCOc2ccccc2C1 ZINC000063012602 170139391 /nfs/dbraw/zinc/13/93/91/170139391.db2.gz QYGHOJOONRBMQC-ZDUSSCGKSA-N 2 2 248.370 2.269 10 0 BEAELP CC[NH2+][C@@H](C)CC[N@H+]1CCOc2ccccc2C1 ZINC000063012602 170139393 /nfs/dbraw/zinc/13/93/93/170139393.db2.gz QYGHOJOONRBMQC-ZDUSSCGKSA-N 2 2 248.370 2.269 10 0 BEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1ccc(C)cc1 ZINC000035570045 170146418 /nfs/dbraw/zinc/14/64/18/170146418.db2.gz RHMKSFCWRYIPAK-AWEZNQCLSA-N 2 2 243.354 2.481 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+](Cc2cccc(C)n2)C[C@@H]1C ZINC000051576617 170151395 /nfs/dbraw/zinc/15/13/95/170151395.db2.gz JBLUEGRQVQNNIL-SWLSCSKDSA-N 2 2 247.386 2.210 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2cccc(C)n2)C[C@@H]1C ZINC000051576617 170151397 /nfs/dbraw/zinc/15/13/97/170151397.db2.gz JBLUEGRQVQNNIL-SWLSCSKDSA-N 2 2 247.386 2.210 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C[C@@H]1C ZINC000049712727 170152720 /nfs/dbraw/zinc/15/27/20/170152720.db2.gz SMMSFPONGPANEK-KCQAQPDRSA-N 2 2 247.386 2.463 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2cccnc2)C[C@@H]1C ZINC000049712727 170152722 /nfs/dbraw/zinc/15/27/22/170152722.db2.gz SMMSFPONGPANEK-KCQAQPDRSA-N 2 2 247.386 2.463 10 0 BEAELP CC[NH2+][C@H](CC[N@@H+]1CCO[C@H](C)C1)C(C)(C)C ZINC000054027080 170161289 /nfs/dbraw/zinc/16/12/89/170161289.db2.gz DNXJXDZRDWBEIU-CHWSQXEVSA-N 2 2 242.407 2.121 10 0 BEAELP CC[NH2+][C@H](CC[N@H+]1CCO[C@H](C)C1)C(C)(C)C ZINC000054027080 170161291 /nfs/dbraw/zinc/16/12/91/170161291.db2.gz DNXJXDZRDWBEIU-CHWSQXEVSA-N 2 2 242.407 2.121 10 0 BEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccccc1F ZINC000035570331 170163063 /nfs/dbraw/zinc/16/30/63/170163063.db2.gz YPIGKWXDNZJAFF-GFCCVEGCSA-N 2 2 233.290 2.442 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+](Cc2ccco2)C[C@@H]1C ZINC000049708496 170167703 /nfs/dbraw/zinc/16/77/03/170167703.db2.gz VDRJNZINHPNWCE-AAEUAGOBSA-N 2 2 222.332 2.100 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+](Cc2ccco2)C[C@@H]1C ZINC000049708496 170167706 /nfs/dbraw/zinc/16/77/06/170167706.db2.gz VDRJNZINHPNWCE-AAEUAGOBSA-N 2 2 222.332 2.100 10 0 BEAELP CCNc1[nH+]cccc1Cn1cc[nH+]c1C ZINC000052732155 170178062 /nfs/dbraw/zinc/17/80/62/170178062.db2.gz YIASYSLXPYOOHQ-UHFFFAOYSA-N 2 2 216.288 2.067 10 0 BEAELP [NH3+]CC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000132069679 411755665 /nfs/dbraw/zinc/75/56/65/411755665.db2.gz WFJXKTSSRMJWGW-UHFFFAOYSA-N 2 2 241.338 2.410 10 0 BEAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC[NH2+]C(C)(C)C ZINC000042451715 171112850 /nfs/dbraw/zinc/11/28/50/171112850.db2.gz FFCYTIJVKMPRAC-CHWSQXEVSA-N 2 2 242.407 2.264 10 0 BEAELP CC[C@@H]1CO[C@H](C)C[N@H+]1CCC[NH2+]C(C)(C)C ZINC000042451715 171112852 /nfs/dbraw/zinc/11/28/52/171112852.db2.gz FFCYTIJVKMPRAC-CHWSQXEVSA-N 2 2 242.407 2.264 10 0 BEAELP CC[C@@](C)(C[NH2+]C)C[N@H+](C)Cc1ccccn1 ZINC000051217478 171166162 /nfs/dbraw/zinc/16/61/62/171166162.db2.gz HUEJUGICOREVBW-AWEZNQCLSA-N 2 2 235.375 2.149 10 0 BEAELP CC[C@@](C)(C[NH2+]C)C[N@@H+](C)Cc1ccccn1 ZINC000051217478 171166165 /nfs/dbraw/zinc/16/61/65/171166165.db2.gz HUEJUGICOREVBW-AWEZNQCLSA-N 2 2 235.375 2.149 10 0 BEAELP CC[C@H](C)[N@H+](CCOC)[C@@H](C[NH3+])c1ccco1 ZINC000042578309 171315391 /nfs/dbraw/zinc/31/53/91/171315391.db2.gz AIGYIPRSUFOMEP-RYUDHWBXSA-N 2 2 240.347 2.026 10 0 BEAELP CC[C@H](C)[N@@H+](CCOC)[C@@H](C[NH3+])c1ccco1 ZINC000042578309 171315392 /nfs/dbraw/zinc/31/53/92/171315392.db2.gz AIGYIPRSUFOMEP-RYUDHWBXSA-N 2 2 240.347 2.026 10 0 BEAELP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000040502542 171366326 /nfs/dbraw/zinc/36/63/26/171366326.db2.gz OUHDEXDCASUPAF-YNEHKIRRSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000040502542 171366328 /nfs/dbraw/zinc/36/63/28/171366328.db2.gz OUHDEXDCASUPAF-YNEHKIRRSA-N 2 2 212.381 2.495 10 0 BEAELP CCc1[nH+]c2ccccc2n1[C@@H](CC)C(N)=[NH2+] ZINC000062807751 172013980 /nfs/dbraw/zinc/01/39/80/172013980.db2.gz XXMVTCYMZDFIPV-JTQLQIEISA-N 2 2 230.315 2.486 10 0 BEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(C)=O)C1 ZINC000106217681 172028976 /nfs/dbraw/zinc/02/89/76/172028976.db2.gz NRUDSSFHPNHHAF-CYBMUJFWSA-N 2 2 249.358 2.062 10 0 BEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(C)=O)C1 ZINC000106217681 172028978 /nfs/dbraw/zinc/02/89/78/172028978.db2.gz NRUDSSFHPNHHAF-CYBMUJFWSA-N 2 2 249.358 2.062 10 0 BEAELP CCn1cc[nH+]c1C[C@@H]([NH3+])Cc1ccccc1 ZINC000061881040 172226747 /nfs/dbraw/zinc/22/67/47/172226747.db2.gz JDWNQGVCSZHIPD-ZDUSSCGKSA-N 2 2 229.327 2.016 10 0 BEAELP C[N@@H+]1CCC[C@@H](Nc2cn[nH+]c3ccccc23)C1 ZINC000104119452 173022099 /nfs/dbraw/zinc/02/20/99/173022099.db2.gz RVHNYBXFUKSZOU-LLVKDONJSA-N 2 2 242.326 2.136 10 0 BEAELP C[N@H+]1CCC[C@@H](Nc2cn[nH+]c3ccccc23)C1 ZINC000104119452 173022102 /nfs/dbraw/zinc/02/21/02/173022102.db2.gz RVHNYBXFUKSZOU-LLVKDONJSA-N 2 2 242.326 2.136 10 0 BEAELP C[N@@H+]1CCc2nc([C@H]([NH3+])C(C)(C)C)sc2C1 ZINC000041059682 173172877 /nfs/dbraw/zinc/17/28/77/173172877.db2.gz WNHFODHAXFTTMI-JTQLQIEISA-N 2 2 239.388 2.177 10 0 BEAELP C[N@H+]1CCc2nc([C@H]([NH3+])C(C)(C)C)sc2C1 ZINC000041059682 173172879 /nfs/dbraw/zinc/17/28/79/173172879.db2.gz WNHFODHAXFTTMI-JTQLQIEISA-N 2 2 239.388 2.177 10 0 BEAELP C[NH2+]C(C)(C)C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000061319751 173319714 /nfs/dbraw/zinc/31/97/14/173319714.db2.gz KXWAYMHUBREZGN-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C(C)(C)C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000061319751 173319715 /nfs/dbraw/zinc/31/97/15/173319715.db2.gz KXWAYMHUBREZGN-VXGBXAGGSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C1CC[NH+]([C@@H](C)c2ccc(C)o2)CC1 ZINC000049216725 173324269 /nfs/dbraw/zinc/32/42/69/173324269.db2.gz YXVQILHLVUMFTF-NSHDSACASA-N 2 2 222.332 2.333 10 0 BEAELP C[NH2+]CC[N@H+](C)CCc1ccc(F)c(Cl)c1 ZINC000077397754 173352528 /nfs/dbraw/zinc/35/25/28/173352528.db2.gz PPTJJLLVWQLDFE-UHFFFAOYSA-N 2 2 244.741 2.173 10 0 BEAELP C[NH2+]CC[N@@H+](C)CCc1ccc(F)c(Cl)c1 ZINC000077397754 173352530 /nfs/dbraw/zinc/35/25/30/173352530.db2.gz PPTJJLLVWQLDFE-UHFFFAOYSA-N 2 2 244.741 2.173 10 0 BEAELP C[NH2+]CCOCc1ccc2[nH]c(C3CC3)[nH+]c2c1 ZINC000077399924 173356826 /nfs/dbraw/zinc/35/68/26/173356826.db2.gz YWLNRGVUNRSZNW-UHFFFAOYSA-N 2 2 245.326 2.176 10 0 BEAELP C[NH2+]CCOc1cc(C)[nH+]c2ccccc21 ZINC000051866658 173357962 /nfs/dbraw/zinc/35/79/62/173357962.db2.gz RZQDFGSGSYQHJE-UHFFFAOYSA-N 2 2 216.284 2.141 10 0 BEAELP C[NH2+]C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C)C1 ZINC000052484709 173367091 /nfs/dbraw/zinc/36/70/91/173367091.db2.gz GHNFLXCTCOMSBC-JSGCOSHPSA-N 2 2 218.344 2.289 10 0 BEAELP C[NH2+]C[C@@H](c1ccccc1)[N@H+]1CC[C@H](C)C1 ZINC000052484709 173367092 /nfs/dbraw/zinc/36/70/92/173367092.db2.gz GHNFLXCTCOMSBC-JSGCOSHPSA-N 2 2 218.344 2.289 10 0 BEAELP C[NH2+]C[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC000044412635 173377800 /nfs/dbraw/zinc/37/78/00/173377800.db2.gz IWCGFUHEHHQPPK-CYBMUJFWSA-N 2 2 210.365 2.251 10 0 BEAELP C[NH2+]C[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC000044412635 173377801 /nfs/dbraw/zinc/37/78/01/173377801.db2.gz IWCGFUHEHHQPPK-CYBMUJFWSA-N 2 2 210.365 2.251 10 0 BEAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N1CC[C@@H](C)C1 ZINC000051448424 173384452 /nfs/dbraw/zinc/38/44/52/173384452.db2.gz NZDQJSPRKBWKMJ-SNVBAGLBSA-N 2 2 233.359 2.264 10 0 BEAELP COC1CC[NH+]([C@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000037265950 174032177 /nfs/dbraw/zinc/03/21/77/174032177.db2.gz XJSYQIDRUAJWIR-JSGCOSHPSA-N 2 2 240.391 2.005 10 0 BEAELP COCC[N@H+](C[C@H]([NH3+])c1ccc(C)cc1)C1CC1 ZINC000042518139 174297599 /nfs/dbraw/zinc/29/75/99/174297599.db2.gz OYZSGJBWPZHYNN-HNNXBMFYSA-N 2 2 248.370 2.106 10 0 BEAELP COCC[N@@H+](C[C@H]([NH3+])c1ccc(C)cc1)C1CC1 ZINC000042518139 174297600 /nfs/dbraw/zinc/29/76/00/174297600.db2.gz OYZSGJBWPZHYNN-HNNXBMFYSA-N 2 2 248.370 2.106 10 0 BEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000042961391 175182231 /nfs/dbraw/zinc/18/22/31/175182231.db2.gz UVELWIDKJLFDCW-LALPHHSUSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CC[C@@H](C)C2)cc1 ZINC000042961391 175182233 /nfs/dbraw/zinc/18/22/33/175182233.db2.gz UVELWIDKJLFDCW-LALPHHSUSA-N 2 2 248.370 2.425 10 0 BEAELP COc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000234979683 175259677 /nfs/dbraw/zinc/25/96/77/175259677.db2.gz ZFGDCWQLGNSFSP-GXTWGEPZSA-N 2 2 248.370 2.254 10 0 BEAELP COc1cccc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000234979683 175259679 /nfs/dbraw/zinc/25/96/79/175259679.db2.gz ZFGDCWQLGNSFSP-GXTWGEPZSA-N 2 2 248.370 2.254 10 0 BEAELP COc1ccccc1C[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000234875260 175327454 /nfs/dbraw/zinc/32/74/54/175327454.db2.gz WNJCGXLIEFXPBA-GXTWGEPZSA-N 2 2 248.370 2.254 10 0 BEAELP COc1ccccc1C[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000234875260 175327455 /nfs/dbraw/zinc/32/74/55/175327455.db2.gz WNJCGXLIEFXPBA-GXTWGEPZSA-N 2 2 248.370 2.254 10 0 BEAELP C[C@@H]([NH3+])[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000043042133 175809971 /nfs/dbraw/zinc/80/99/71/175809971.db2.gz CZSULODCYWJBAD-MFKMUULPSA-N 2 2 222.307 2.310 10 0 BEAELP C[C@@H](c1ccc(O)cc1)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000104358646 176017227 /nfs/dbraw/zinc/01/72/27/176017227.db2.gz UPXGGXKMMGXPTI-WCQYABFASA-N 2 2 234.343 2.137 10 0 BEAELP C[C@@H](c1ccc(O)cc1)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000104358646 176017230 /nfs/dbraw/zinc/01/72/30/176017230.db2.gz UPXGGXKMMGXPTI-WCQYABFASA-N 2 2 234.343 2.137 10 0 BEAELP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1[C@@H](C)c1cccnc1 ZINC000063191232 176029484 /nfs/dbraw/zinc/02/94/84/176029484.db2.gz DOJTUUZOJJMLKI-MBNYWOFBSA-N 2 2 233.359 2.344 10 0 BEAELP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1[C@@H](C)c1cccnc1 ZINC000063191232 176029485 /nfs/dbraw/zinc/02/94/85/176029485.db2.gz DOJTUUZOJJMLKI-MBNYWOFBSA-N 2 2 233.359 2.344 10 0 BEAELP C[C@@H]1CCCC[C@H]1[NH2+]CCc1[nH+]ccn1C ZINC000040638578 176088483 /nfs/dbraw/zinc/08/84/83/176088483.db2.gz NOYVIULOYKGVDQ-VXGBXAGGSA-N 2 2 221.348 2.131 10 0 BEAELP C[C@@H]1CCC[N@H+](CC2([NH3+])CCCCC2)C1 ZINC000020071957 176096312 /nfs/dbraw/zinc/09/63/12/176096312.db2.gz SVXMRRIHRIRPGX-GFCCVEGCSA-N 2 2 210.365 2.380 10 0 BEAELP C[C@@H]1CCC[N@@H+](CC2([NH3+])CCCCC2)C1 ZINC000020071957 176096313 /nfs/dbraw/zinc/09/63/13/176096313.db2.gz SVXMRRIHRIRPGX-GFCCVEGCSA-N 2 2 210.365 2.380 10 0 BEAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000037910443 176109952 /nfs/dbraw/zinc/10/99/52/176109952.db2.gz GMMCSGFNTMGBOJ-MFKMUULPSA-N 2 2 222.307 2.310 10 0 BEAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000037910443 176109954 /nfs/dbraw/zinc/10/99/54/176109954.db2.gz GMMCSGFNTMGBOJ-MFKMUULPSA-N 2 2 222.307 2.310 10 0 BEAELP C[C@@H]1CCC[C@@H](C)C1[N@@H+]1CCC[NH2+]CC1 ZINC000038086876 176113552 /nfs/dbraw/zinc/11/35/52/176113552.db2.gz INYKWAIEHFIAJY-VXGBXAGGSA-N 2 2 210.365 2.106 10 0 BEAELP C[C@@H]1CCC[C@@H](C)C1[N@H+]1CCC[NH2+]CC1 ZINC000038086876 176113554 /nfs/dbraw/zinc/11/35/54/176113554.db2.gz INYKWAIEHFIAJY-VXGBXAGGSA-N 2 2 210.365 2.106 10 0 BEAELP C[C@@H]1CC[N@H+](Cc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000235335962 176175447 /nfs/dbraw/zinc/17/54/47/176175447.db2.gz UWNJFJQWNQPCLB-BXUZGUMPSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000235335962 176175448 /nfs/dbraw/zinc/17/54/48/176175448.db2.gz UWNJFJQWNQPCLB-BXUZGUMPSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccccc2)C1 ZINC000042278819 176180335 /nfs/dbraw/zinc/18/03/35/176180335.db2.gz GLBLILZAPAZPKL-YPMHNXCESA-N 2 2 204.317 2.028 10 0 BEAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccccc2)C1 ZINC000042278819 176180337 /nfs/dbraw/zinc/18/03/37/176180337.db2.gz GLBLILZAPAZPKL-YPMHNXCESA-N 2 2 204.317 2.028 10 0 BEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000358091785 176274009 /nfs/dbraw/zinc/27/40/09/176274009.db2.gz VWIROWHZCDCPTK-XBFCOCLRSA-N 2 2 246.354 2.050 10 0 BEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000358091785 176274011 /nfs/dbraw/zinc/27/40/11/176274011.db2.gz VWIROWHZCDCPTK-XBFCOCLRSA-N 2 2 246.354 2.050 10 0 BEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000358003013 176279175 /nfs/dbraw/zinc/27/91/75/176279175.db2.gz IFQGRSBOCQIAND-BYCMXARLSA-N 2 2 230.355 2.214 10 0 BEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000358003013 176279176 /nfs/dbraw/zinc/27/91/76/176279176.db2.gz IFQGRSBOCQIAND-BYCMXARLSA-N 2 2 230.355 2.214 10 0 BEAELP C[C@@H]1C[NH2+]CC[N@@H+](C2(C)CCCCC2)C1 ZINC000045046679 176326043 /nfs/dbraw/zinc/32/60/43/176326043.db2.gz NMZHWCNDTDUUQU-GFCCVEGCSA-N 2 2 210.365 2.251 10 0 BEAELP C[C@@H]1C[NH2+]CC[N@H+](C2(C)CCCCC2)C1 ZINC000045046679 176326044 /nfs/dbraw/zinc/32/60/44/176326044.db2.gz NMZHWCNDTDUUQU-GFCCVEGCSA-N 2 2 210.365 2.251 10 0 BEAELP C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000019390121 176362123 /nfs/dbraw/zinc/36/21/23/176362123.db2.gz XBCBFSSRCVGIEN-FVCCEPFGSA-N 2 2 210.365 2.234 10 0 BEAELP C[C@H](c1cccnc1)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602000 177045962 /nfs/dbraw/zinc/04/59/62/177045962.db2.gz GWGPXBLIJNURQP-JZIBPQBNSA-N 2 2 245.370 2.487 10 0 BEAELP C[C@H](c1cccnc1)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602000 177045964 /nfs/dbraw/zinc/04/59/64/177045964.db2.gz GWGPXBLIJNURQP-JZIBPQBNSA-N 2 2 245.370 2.487 10 0 BEAELP C[C@H]1CCC[N@@H+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000023071850 177104515 /nfs/dbraw/zinc/10/45/15/177104515.db2.gz IWBFIUDYUWGFOR-RWMBFGLXSA-N 2 2 210.365 2.378 10 0 BEAELP C[C@H]1CCC[N@H+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000023071850 177104517 /nfs/dbraw/zinc/10/45/17/177104517.db2.gz IWBFIUDYUWGFOR-RWMBFGLXSA-N 2 2 210.365 2.378 10 0 BEAELP C[C@@H]1CCC[C@H](C)C1[NH2+]CCn1cc[nH+]c1 ZINC000041041890 177113874 /nfs/dbraw/zinc/11/38/74/177113874.db2.gz JQGSLULKYYFEEN-FUNVUKJBSA-N 2 2 221.348 2.297 10 0 BEAELP C[C@H]1CC[N@@H+](C2(C)CCCCC2)CC[NH2+]1 ZINC000045046691 177157607 /nfs/dbraw/zinc/15/76/07/177157607.db2.gz SNFMHMRMCCDLTH-LBPRGKRZSA-N 2 2 210.365 2.393 10 0 BEAELP C[C@H]1CC[N@H+](C2(C)CCCCC2)CC[NH2+]1 ZINC000045046691 177157608 /nfs/dbraw/zinc/15/76/08/177157608.db2.gz SNFMHMRMCCDLTH-LBPRGKRZSA-N 2 2 210.365 2.393 10 0 BEAELP C[C@H]1CC[N@H+](Cc2ccsc2)[C@@H](C[NH3+])C1 ZINC000235614126 177166638 /nfs/dbraw/zinc/16/66/38/177166638.db2.gz WUUKSFPUNMSPMU-CMPLNLGQSA-N 2 2 224.373 2.307 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H](C[NH3+])C1 ZINC000235614126 177166640 /nfs/dbraw/zinc/16/66/40/177166640.db2.gz WUUKSFPUNMSPMU-CMPLNLGQSA-N 2 2 224.373 2.307 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@H+](C2(C[NH3+])CCSCC2)C1 ZINC000042334930 177312197 /nfs/dbraw/zinc/31/21/97/177312197.db2.gz KKYQCKGOMAFVQP-TXEJJXNPSA-N 2 2 242.432 2.189 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@@H+](C2(C[NH3+])CCSCC2)C1 ZINC000042334930 177312198 /nfs/dbraw/zinc/31/21/98/177312198.db2.gz KKYQCKGOMAFVQP-TXEJJXNPSA-N 2 2 242.432 2.189 10 0 BEAELP C[C@H]1C[C@H](C)C[NH+]([C@@H](C[NH3+])c2ccccn2)C1 ZINC000019274127 177358145 /nfs/dbraw/zinc/35/81/45/177358145.db2.gz ZUZBGWZLYDNQII-OBJOEFQTSA-N 2 2 233.359 2.059 10 0 BEAELP C[C@H]1C[C@H](C)C[NH+](C[C@@H]2CCCC[NH2+]2)C1 ZINC000019488638 177358494 /nfs/dbraw/zinc/35/84/94/177358494.db2.gz YPUSYEIGJPDTBG-AVGNSLFASA-N 2 2 210.365 2.106 10 0 BEAELP C[C@H]1C[C@H]1C[N@H+](C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111823822 177379554 /nfs/dbraw/zinc/37/95/54/177379554.db2.gz DVDXTUCUYIUGFK-JKOKRWQUSA-N 2 2 236.334 2.413 10 0 BEAELP C[C@H]1C[C@H]1C[N@@H+](C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111823822 177379556 /nfs/dbraw/zinc/37/95/56/177379556.db2.gz DVDXTUCUYIUGFK-JKOKRWQUSA-N 2 2 236.334 2.413 10 0 BEAELP C[C@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000052272759 177386143 /nfs/dbraw/zinc/38/61/43/177386143.db2.gz RNOUNNWBIASXJT-NWANDNLSSA-N 2 2 230.355 2.259 10 0 BEAELP C[C@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000052272759 177386144 /nfs/dbraw/zinc/38/61/44/177386144.db2.gz RNOUNNWBIASXJT-NWANDNLSSA-N 2 2 230.355 2.259 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000400443406 226343633 /nfs/dbraw/zinc/34/36/33/226343633.db2.gz OWJPPHQJXHGZSZ-IACUBPJLSA-N 2 2 246.354 2.240 10 0 BEAELP Cc1csc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000400561883 226346233 /nfs/dbraw/zinc/34/62/33/226346233.db2.gz HYNXUHWOZDECCA-DCAQKATOSA-N 2 2 239.388 2.100 10 0 BEAELP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)o1 ZINC000400619282 226348053 /nfs/dbraw/zinc/34/80/53/226348053.db2.gz JEAMNIWRQNKVPL-SDDRHHMPSA-N 2 2 222.332 2.379 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2cccs2)C1 ZINC000328367624 487670565 /nfs/dbraw/zinc/67/05/65/487670565.db2.gz RIIGIGGMUQYKGQ-VXGBXAGGSA-N 2 2 238.400 2.363 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2cccs2)C1 ZINC000328367624 487670568 /nfs/dbraw/zinc/67/05/68/487670568.db2.gz RIIGIGGMUQYKGQ-VXGBXAGGSA-N 2 2 238.400 2.363 10 0 BEAELP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000050344429 487944529 /nfs/dbraw/zinc/94/45/29/487944529.db2.gz PSVSZUITJZZSOU-PWSUYJOCSA-N 2 2 224.373 2.493 10 0 BEAELP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000050344429 487944531 /nfs/dbraw/zinc/94/45/31/487944531.db2.gz PSVSZUITJZZSOU-PWSUYJOCSA-N 2 2 224.373 2.493 10 0 BEAELP COc1cccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396728748 323656292 /nfs/dbraw/zinc/65/62/92/323656292.db2.gz ZYCYYLCFKYSNOB-ZOWXZIJZSA-N 2 2 248.370 2.486 10 0 BEAELP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1(C)CC1 ZINC000122802007 324058662 /nfs/dbraw/zinc/05/86/62/324058662.db2.gz BFJVONPXPVDOGQ-WOPDTQHZSA-N 2 2 222.376 2.390 10 0 BEAELP C[C@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@@H]1[NH3+] ZINC000235716672 488010135 /nfs/dbraw/zinc/01/01/35/488010135.db2.gz AAAOWOQWINYTIO-NHYWBVRUSA-N 2 2 230.355 2.343 10 0 BEAELP C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1[NH3+] ZINC000235716672 488010141 /nfs/dbraw/zinc/01/01/41/488010141.db2.gz AAAOWOQWINYTIO-NHYWBVRUSA-N 2 2 230.355 2.343 10 0 BEAELP Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c(C)[nH+]1 ZINC000094665927 487549954 /nfs/dbraw/zinc/54/99/54/487549954.db2.gz QMUMBJXIIRCXGU-RYUDHWBXSA-N 2 2 247.342 2.012 10 0 BEAELP Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c(C)[nH+]1 ZINC000094665925 487550102 /nfs/dbraw/zinc/55/01/02/487550102.db2.gz QMUMBJXIIRCXGU-NEPJUHHUSA-N 2 2 247.342 2.012 10 0 BEAELP C[C@H]1C[N@H+](Cc2ccnc3ccccc23)C[C@@H]1[NH3+] ZINC000235717438 488009368 /nfs/dbraw/zinc/00/93/68/488009368.db2.gz BJVHNMQVPDOMAZ-FZMZJTMJSA-N 2 2 241.338 2.014 10 0 BEAELP C[C@H]1C[N@@H+](Cc2ccnc3ccccc23)C[C@@H]1[NH3+] ZINC000235717438 488009372 /nfs/dbraw/zinc/00/93/72/488009372.db2.gz BJVHNMQVPDOMAZ-FZMZJTMJSA-N 2 2 241.338 2.014 10 0 BEAELP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000129296447 490058802 /nfs/dbraw/zinc/05/88/02/490058802.db2.gz NALQMLJHVRARCP-DZGCQCFKSA-N 2 2 248.345 2.497 10 0 BEAELP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000129296447 490058807 /nfs/dbraw/zinc/05/88/07/490058807.db2.gz NALQMLJHVRARCP-DZGCQCFKSA-N 2 2 248.345 2.497 10 0 BEAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2O ZINC000300409556 490560328 /nfs/dbraw/zinc/56/03/28/490560328.db2.gz GUIJFNHRAFCODD-RISCZKNCSA-N 2 2 246.354 2.063 10 0 BEAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2O ZINC000300409556 490560330 /nfs/dbraw/zinc/56/03/30/490560330.db2.gz GUIJFNHRAFCODD-RISCZKNCSA-N 2 2 246.354 2.063 10 0 BEAELP CCCC[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129424 582503929 /nfs/dbraw/zinc/50/39/29/582503929.db2.gz LNMPZGXVOHDALU-AWEZNQCLSA-N 2 2 222.376 2.347 10 0 BEAELP CCCC[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000380211920 566341275 /nfs/dbraw/zinc/34/12/75/566341275.db2.gz ZJUGKILWNOMTLP-FRRDWIJNSA-N 2 2 212.381 2.495 10 0 BEAELP CCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000380211920 566341283 /nfs/dbraw/zinc/34/12/83/566341283.db2.gz ZJUGKILWNOMTLP-FRRDWIJNSA-N 2 2 212.381 2.495 10 0 BEAELP CCCC[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129424 582503928 /nfs/dbraw/zinc/50/39/28/582503928.db2.gz LNMPZGXVOHDALU-AWEZNQCLSA-N 2 2 222.376 2.347 10 0 BEAELP C[C@@H]1C[NH2+][C@@H](c2cccc3cc[nH]c32)[C@@H]([NH3+])C1 ZINC000757220319 582563831 /nfs/dbraw/zinc/56/38/31/582563831.db2.gz YOXMHWNDIJVXBE-WFBYXXMGSA-N 2 2 229.327 2.166 10 0 BEAELP Cc1cc(C[C@H]([NH3+])C[NH+](C)C)ccc1Cl ZINC000757154406 586430087 /nfs/dbraw/zinc/43/00/87/586430087.db2.gz YNQUPWRXUJUHEX-NSHDSACASA-N 2 2 226.751 2.080 10 0 BEAELP CC1(c2ccc([C@H]3[NH2+]CCC[C@H]3[NH3+])cc2)CC1 ZINC000757208392 586437928 /nfs/dbraw/zinc/43/79/28/586437928.db2.gz CLSXFGSEKGYGBD-ZIAGYGMSSA-N 2 2 230.355 2.490 10 0 BEAELP CC1(c2ccc([C@H]3[NH2+]CCC[C@@H]3[NH3+])cc2)CC1 ZINC000757208388 586438037 /nfs/dbraw/zinc/43/80/37/586438037.db2.gz CLSXFGSEKGYGBD-UONOGXRCSA-N 2 2 230.355 2.490 10 0 BEAELP CC(=O)c1ccc([C@@H]2[NH2+][C@@H](C)CC[C@H]2[NH3+])cc1 ZINC000757215926 586440684 /nfs/dbraw/zinc/44/06/84/586440684.db2.gz OCKHJBZSFFHYBN-FZZIBODNSA-N 2 2 232.327 2.030 10 0 BEAELP [NH3+]CC[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000125508368 632106743 /nfs/dbraw/zinc/10/67/43/632106743.db2.gz MPJZWXWTRYPMCH-LBPRGKRZSA-N 2 2 241.338 2.410 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H]2C(C)C)C1 ZINC000309903120 633921124 /nfs/dbraw/zinc/92/11/24/633921124.db2.gz ITQGUYMAASVVEV-XDQVBPFNSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H]2C(C)C)C1 ZINC000309903120 633921128 /nfs/dbraw/zinc/92/11/28/633921128.db2.gz ITQGUYMAASVVEV-XDQVBPFNSA-N 2 2 224.392 2.351 10 0 BEAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCSC1 ZINC000061588147 711839128 /nfs/dbraw/zinc/83/91/28/711839128.db2.gz MJZAIMVKMCPHAS-OLZOCXBDSA-N 2 2 244.448 2.448 10 0 BEAELP CCC1([NH3+])CC[NH+]([C@@H](C)c2cncs2)CC1 ZINC000714759582 712497686 /nfs/dbraw/zinc/49/76/86/712497686.db2.gz VBKUUGQUOOURIO-JTQLQIEISA-N 2 2 239.388 2.407 10 0 BEAELP Fc1ccc(CC[NH2+]CC[NH+]2CCCC2)cc1 ZINC000041626075 1171189687 /nfs/dbraw/zinc/18/96/87/1171189687.db2.gz CDQACBPFGWNQCT-UHFFFAOYSA-N 2 2 236.334 2.054 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000378693995 346809421 /nfs/dbraw/zinc/80/94/21/346809421.db2.gz KDASVDATUQJTTP-UNJBNNCHSA-N 2 2 222.376 2.247 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000378693995 346809424 /nfs/dbraw/zinc/80/94/24/346809424.db2.gz KDASVDATUQJTTP-UNJBNNCHSA-N 2 2 222.376 2.247 10 0 BEAELP Cc1cc(C[NH2+]CCc2c[nH]c[nH+]2)ccc1F ZINC000083359986 178021890 /nfs/dbraw/zinc/02/18/90/178021890.db2.gz DJAJSMMHLPPXGW-UHFFFAOYSA-N 2 2 233.290 2.190 10 0 BEAELP Cc1cc(C[NH2+]CCc2c[nH+]c[nH]2)ccc1F ZINC000083359986 178021892 /nfs/dbraw/zinc/02/18/92/178021892.db2.gz DJAJSMMHLPPXGW-UHFFFAOYSA-N 2 2 233.290 2.190 10 0 BEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)C1CC1 ZINC000050578403 178092255 /nfs/dbraw/zinc/09/22/55/178092255.db2.gz ULCMZRXQXPPMAX-CYBMUJFWSA-N 2 2 222.307 2.228 10 0 BEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)C1CC1 ZINC000050578403 178092258 /nfs/dbraw/zinc/09/22/58/178092258.db2.gz ULCMZRXQXPPMAX-CYBMUJFWSA-N 2 2 222.307 2.228 10 0 BEAELP Cc1cc([NH+](C)C)ccc1N[C@H]1CC[N@H+](C)C1 ZINC000061985060 178096000 /nfs/dbraw/zinc/09/60/00/178096000.db2.gz XYVMZEUJMLIHIM-LBPRGKRZSA-N 2 2 233.359 2.177 10 0 BEAELP Cc1cc([NH+](C)C)ccc1N[C@H]1CC[N@@H+](C)C1 ZINC000061985060 178096001 /nfs/dbraw/zinc/09/60/01/178096001.db2.gz XYVMZEUJMLIHIM-LBPRGKRZSA-N 2 2 233.359 2.177 10 0 BEAELP Cc1cc(N(C)[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000104362852 178100332 /nfs/dbraw/zinc/10/03/32/178100332.db2.gz RLJPQUYQQNAEJN-GFCCVEGCSA-N 2 2 248.374 2.097 10 0 BEAELP Cc1cc([NH3+])ccc1N(C)C1CC[NH+](C)CC1 ZINC000036950061 178104922 /nfs/dbraw/zinc/10/49/22/178104922.db2.gz FBIPDGBKEHXGMX-UHFFFAOYSA-N 2 2 233.359 2.108 10 0 BEAELP C[C@@H]1Cc2[nH+]cn(C[C@@H]3CCC[N@@H+]3C)c2C[C@H]1C ZINC000386808677 398220329 /nfs/dbraw/zinc/22/03/29/398220329.db2.gz DDDWXXUPXSWYMI-UPJWGTAASA-N 2 2 247.386 2.348 10 0 BEAELP C[C@@H]1Cc2[nH+]cn(C[C@@H]3CCC[N@H+]3C)c2C[C@H]1C ZINC000386808677 398220333 /nfs/dbraw/zinc/22/03/33/398220333.db2.gz DDDWXXUPXSWYMI-UPJWGTAASA-N 2 2 247.386 2.348 10 0 BEAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)C2CC2)ccc1F ZINC000050545968 178236107 /nfs/dbraw/zinc/23/61/07/178236107.db2.gz IYZIEGFCHDLFDA-CYBMUJFWSA-N 2 2 222.307 2.228 10 0 BEAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)C2CC2)ccc1F ZINC000050545968 178236108 /nfs/dbraw/zinc/23/61/08/178236108.db2.gz IYZIEGFCHDLFDA-CYBMUJFWSA-N 2 2 222.307 2.228 10 0 BEAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)C(C)C)ccc1F ZINC000050545837 178261503 /nfs/dbraw/zinc/26/15/03/178261503.db2.gz GXMSSENEPBCPHC-ZDUSSCGKSA-N 2 2 224.323 2.474 10 0 BEAELP Cc1cc([C@H](C[NH3+])[N@H+](C)C(C)C)ccc1F ZINC000050545837 178261505 /nfs/dbraw/zinc/26/15/05/178261505.db2.gz GXMSSENEPBCPHC-ZDUSSCGKSA-N 2 2 224.323 2.474 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000336775721 398237983 /nfs/dbraw/zinc/23/79/83/398237983.db2.gz ZUJBQMXSZWRNJF-AGIUHOORSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000336775721 398237985 /nfs/dbraw/zinc/23/79/85/398237985.db2.gz ZUJBQMXSZWRNJF-AGIUHOORSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000040502174 343996488 /nfs/dbraw/zinc/99/64/88/343996488.db2.gz NBMFTUNBKDOAIX-QWHCGFSZSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000040502174 343996489 /nfs/dbraw/zinc/99/64/89/343996489.db2.gz NBMFTUNBKDOAIX-QWHCGFSZSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)C(C)C ZINC000040502847 343999049 /nfs/dbraw/zinc/99/90/49/343999049.db2.gz ODMVJBNCHUGKBC-OLZOCXBDSA-N 2 2 212.381 2.495 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)C(C)C ZINC000040502847 343999053 /nfs/dbraw/zinc/99/90/53/343999053.db2.gz ODMVJBNCHUGKBC-OLZOCXBDSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381769527 398271452 /nfs/dbraw/zinc/27/14/52/398271452.db2.gz YEWGKMSTPHZLEB-QWRGUYRKSA-N 2 2 232.318 2.106 10 0 BEAELP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381769527 398271454 /nfs/dbraw/zinc/27/14/54/398271454.db2.gz YEWGKMSTPHZLEB-QWRGUYRKSA-N 2 2 232.318 2.106 10 0 BEAELP CCC(CC)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000308905638 168394366 /nfs/dbraw/zinc/39/43/66/168394366.db2.gz CKPMHOVWQJNDKM-JTQLQIEISA-N 2 2 207.321 2.045 10 0 BEAELP CCC(CC)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000308905638 168394369 /nfs/dbraw/zinc/39/43/69/168394369.db2.gz CKPMHOVWQJNDKM-JTQLQIEISA-N 2 2 207.321 2.045 10 0 BEAELP CCc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000234160075 342917211 /nfs/dbraw/zinc/91/72/11/342917211.db2.gz BDHYIKXLRKRZQV-CABZTGNLSA-N 2 2 224.373 2.090 10 0 BEAELP CCc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000234160075 342917213 /nfs/dbraw/zinc/91/72/13/342917213.db2.gz BDHYIKXLRKRZQV-CABZTGNLSA-N 2 2 224.373 2.090 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC000083390738 343480042 /nfs/dbraw/zinc/48/00/42/343480042.db2.gz ADNFHRWJRVBGCC-RWMBFGLXSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC000083390738 343480044 /nfs/dbraw/zinc/48/00/44/343480044.db2.gz ADNFHRWJRVBGCC-RWMBFGLXSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+](C)CC[NH2+][C@@H](C)CCC(C)C ZINC000053378992 1172029850 /nfs/dbraw/zinc/02/98/50/1172029850.db2.gz VUOAPWQEPCUFQL-LBPRGKRZSA-N 2 2 200.370 2.352 10 0 BEAELP CC[N@@H+](C)CC[NH2+][C@@H](C)CCC(C)C ZINC000053378992 1172029858 /nfs/dbraw/zinc/02/98/58/1172029858.db2.gz VUOAPWQEPCUFQL-LBPRGKRZSA-N 2 2 200.370 2.352 10 0 BEAELP CC[NH+]1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC000095937438 344358157 /nfs/dbraw/zinc/35/81/57/344358157.db2.gz VIYYRTSAIOEXEZ-UHFFFAOYSA-N 2 2 230.355 2.214 10 0 BEAELP CC[NH+]1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC000095937438 344358159 /nfs/dbraw/zinc/35/81/59/344358159.db2.gz VIYYRTSAIOEXEZ-UHFFFAOYSA-N 2 2 230.355 2.214 10 0 BEAELP [NH3+][C@H](CC=Cc1ccccc1)Cc1c[nH+]c[nH]1 ZINC000029401868 344595577 /nfs/dbraw/zinc/59/55/77/344595577.db2.gz JQCKGYNRROHKNT-WXJAXGNASA-N 2 2 227.311 2.383 10 0 BEAELP [NH3+][C@H](CC=Cc1ccccc1)Cc1c[nH]c[nH+]1 ZINC000029401868 344595579 /nfs/dbraw/zinc/59/55/79/344595579.db2.gz JQCKGYNRROHKNT-WXJAXGNASA-N 2 2 227.311 2.383 10 0 BEAELP C[NH+](C)CC[C@]1(C)[NH2+]CCc2sccc21 ZINC000715208735 537868103 /nfs/dbraw/zinc/86/81/03/537868103.db2.gz POAVOHYAHGOMQY-LBPRGKRZSA-N 2 2 224.373 2.061 10 0 BEAELP C[C@@]1(C[NH3+])CCN(c2[nH+]ccc3ccccc32)C1 ZINC000235416637 537892307 /nfs/dbraw/zinc/89/23/07/537892307.db2.gz ZNQXCQZSABHZDW-HNNXBMFYSA-N 2 2 241.338 2.410 10 0 BEAELP Cc1ccc([C@H]([NH3+])Cc2[nH]cc[nH+]2)c(C)c1 ZINC000036946845 178908887 /nfs/dbraw/zinc/90/88/87/178908887.db2.gz SURBLHCTKRFHEZ-GFCCVEGCSA-N 2 2 215.300 2.269 10 0 BEAELP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1cc(F)cc(F)c1 ZINC000074001590 537910643 /nfs/dbraw/zinc/91/06/43/537910643.db2.gz PDEPJIGNWGLTQI-NWDGAFQWSA-N 2 2 226.270 2.059 10 0 BEAELP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1cc(F)cc(F)c1 ZINC000074001590 537910653 /nfs/dbraw/zinc/91/06/53/537910653.db2.gz PDEPJIGNWGLTQI-NWDGAFQWSA-N 2 2 226.270 2.059 10 0 BEAELP C[C@H]1CCCc2[nH+]c([C@H]3CCC[NH2+]C3)cn21 ZINC000258246661 345782548 /nfs/dbraw/zinc/78/25/48/345782548.db2.gz HMLPXJGJQGOZAD-QWRGUYRKSA-N 2 2 219.332 2.247 10 0 BEAELP C[C@H]1CCCc2[nH+]c([C@@H]3CCC[NH2+]C3)cn21 ZINC000258246665 345782800 /nfs/dbraw/zinc/78/28/00/345782800.db2.gz HMLPXJGJQGOZAD-WDEREUQCSA-N 2 2 219.332 2.247 10 0 BEAELP C[C@]1(C[NH3+])CCN(c2[nH+]ccc3ccccc32)C1 ZINC000235735494 537939206 /nfs/dbraw/zinc/93/92/06/537939206.db2.gz ZNQXCQZSABHZDW-OAHLLOKOSA-N 2 2 241.338 2.410 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)C(C)C)c1 ZINC000022212872 179185488 /nfs/dbraw/zinc/18/54/88/179185488.db2.gz KVXJJOQQQNRCCM-CYBMUJFWSA-N 2 2 206.333 2.335 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)C(C)C)c1 ZINC000022212872 179185489 /nfs/dbraw/zinc/18/54/89/179185489.db2.gz KVXJJOQQQNRCCM-CYBMUJFWSA-N 2 2 206.333 2.335 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000382100728 347171199 /nfs/dbraw/zinc/17/11/99/347171199.db2.gz GLDSCMYJYQBWQM-KZVDOYCCSA-N 2 2 222.376 2.390 10 0 BEAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000382100728 347171200 /nfs/dbraw/zinc/17/12/00/347171200.db2.gz GLDSCMYJYQBWQM-KZVDOYCCSA-N 2 2 222.376 2.390 10 0 BEAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@H+](C)C2CC2)c1 ZINC000042965925 179188441 /nfs/dbraw/zinc/18/84/41/179188441.db2.gz UUAIIOZRZXDUCU-SMDDNHRTSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)C2CC2)c1 ZINC000042965925 179188444 /nfs/dbraw/zinc/18/84/44/179188444.db2.gz UUAIIOZRZXDUCU-SMDDNHRTSA-N 2 2 218.344 2.478 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000250329569 362799973 /nfs/dbraw/zinc/79/99/73/362799973.db2.gz OHWMLHVCDQOEQZ-GHMZBOCLSA-N 2 2 210.346 2.232 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000250329569 362799978 /nfs/dbraw/zinc/79/99/78/362799978.db2.gz OHWMLHVCDQOEQZ-GHMZBOCLSA-N 2 2 210.346 2.232 10 0 BEAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+](C)C2CC2)c1 ZINC000042965927 179203133 /nfs/dbraw/zinc/20/31/33/179203133.db2.gz UUAIIOZRZXDUCU-FZMZJTMJSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+](C)C2CC2)c1 ZINC000042965927 179203134 /nfs/dbraw/zinc/20/31/34/179203134.db2.gz UUAIIOZRZXDUCU-FZMZJTMJSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1cccc([C@H]([C@@H](C)[NH3+])n2cc[nH+]c2)c1 ZINC000042967744 179203264 /nfs/dbraw/zinc/20/32/64/179203264.db2.gz NBIAEIWHRBCQGN-YPMHNXCESA-N 2 2 215.300 2.128 10 0 BEAELP CC(C)C[C@H]([NH3+])C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020073494 347404006 /nfs/dbraw/zinc/40/40/06/347404006.db2.gz PFEXFQONOYGOKR-UPJWGTAASA-N 2 2 212.381 2.338 10 0 BEAELP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000043034388 179329061 /nfs/dbraw/zinc/32/90/61/179329061.db2.gz LNZZAWSMPRXVOB-SMDDNHRTSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000043034388 179329063 /nfs/dbraw/zinc/32/90/63/179329063.db2.gz LNZZAWSMPRXVOB-SMDDNHRTSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1ccc[nH+]c1N[C@@H](C)C[NH+]1CCCC1 ZINC000051041089 179395069 /nfs/dbraw/zinc/39/50/69/179395069.db2.gz BPKBBEIUWZJQQE-LBPRGKRZSA-N 2 2 219.332 2.286 10 0 BEAELP Cc1cc[nH+]c(N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000043561769 179461124 /nfs/dbraw/zinc/46/11/24/179461124.db2.gz ARNYPIIGCUGXJG-MNOVXSKESA-N 2 2 205.305 2.072 10 0 BEAELP CC[N@H+](C)C[C@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669385103 538019171 /nfs/dbraw/zinc/01/91/71/538019171.db2.gz YCPMULDNYKNAGC-GFCCVEGCSA-N 2 2 210.365 2.251 10 0 BEAELP CC[N@@H+](C)C[C@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669385103 538019173 /nfs/dbraw/zinc/01/91/73/538019173.db2.gz YCPMULDNYKNAGC-GFCCVEGCSA-N 2 2 210.365 2.251 10 0 BEAELP CC(C)(C)[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 ZINC000616580576 349258122 /nfs/dbraw/zinc/25/81/22/349258122.db2.gz YKAQCSQOULIHNO-NSHDSACASA-N 2 2 208.349 2.001 10 0 BEAELP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000388620856 349275114 /nfs/dbraw/zinc/27/51/14/349275114.db2.gz HCWNRHXJBMQZQL-JHJVBQTASA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000388620856 349275118 /nfs/dbraw/zinc/27/51/18/349275118.db2.gz HCWNRHXJBMQZQL-JHJVBQTASA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000388620854 349275566 /nfs/dbraw/zinc/27/55/66/349275566.db2.gz HCWNRHXJBMQZQL-AGIUHOORSA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000388620854 349275571 /nfs/dbraw/zinc/27/55/71/349275571.db2.gz HCWNRHXJBMQZQL-AGIUHOORSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@H]1CCC[N@H+](Cc2csc(C[NH3+])n2)[C@H]1C ZINC000251557329 538046131 /nfs/dbraw/zinc/04/61/31/538046131.db2.gz AEEQRUVKWMIWGF-UWVGGRQHSA-N 2 2 239.388 2.222 10 0 BEAELP C[C@H]1CCC[N@@H+](Cc2csc(C[NH3+])n2)[C@H]1C ZINC000251557329 538046139 /nfs/dbraw/zinc/04/61/39/538046139.db2.gz AEEQRUVKWMIWGF-UWVGGRQHSA-N 2 2 239.388 2.222 10 0 BEAELP Cc1nc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C)C2)cs1 ZINC000037484836 180037442 /nfs/dbraw/zinc/03/74/42/180037442.db2.gz PYBXFKUWBXCRPY-MWLCHTKSSA-N 2 2 239.388 2.054 10 0 BEAELP Cc1nc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C)C2)cs1 ZINC000037484836 180037443 /nfs/dbraw/zinc/03/74/43/180037443.db2.gz PYBXFKUWBXCRPY-MWLCHTKSSA-N 2 2 239.388 2.054 10 0 BEAELP Cc1nc(NC2(C[NH3+])CCC(C)CC2)cc[nH+]1 ZINC000104310023 180198281 /nfs/dbraw/zinc/19/82/81/180198281.db2.gz VYOJXAMDVGRTOA-UHFFFAOYSA-N 2 2 234.347 2.105 10 0 BEAELP Cc1c(N)c[nH+]cc1C1=CC[C@]2(C[C@@H]2[NH3+])CC1 ZINC000725265119 538093073 /nfs/dbraw/zinc/09/30/73/538093073.db2.gz GXTHDMZKUGOETO-UONOGXRCSA-N 2 2 229.327 2.257 10 0 BEAELP c1coc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000163038195 350495564 /nfs/dbraw/zinc/49/55/64/350495564.db2.gz FUGPEITYKTUQNL-LBPRGKRZSA-N 2 2 231.299 2.313 10 0 BEAELP c1coc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000163038274 350496128 /nfs/dbraw/zinc/49/61/28/350496128.db2.gz FUGPEITYKTUQNL-GFCCVEGCSA-N 2 2 231.299 2.313 10 0 BEAELP CC(C)[N@@H+]1CCCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616603198 350789327 /nfs/dbraw/zinc/78/93/27/350789327.db2.gz CMTJAMSJRYYZLS-ZDUSSCGKSA-N 2 2 233.359 2.472 10 0 BEAELP CC(C)[N@H+]1CCCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616603198 350789328 /nfs/dbraw/zinc/78/93/28/350789328.db2.gz CMTJAMSJRYYZLS-ZDUSSCGKSA-N 2 2 233.359 2.472 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccnc2ccccc21 ZINC000616608699 350805637 /nfs/dbraw/zinc/80/56/37/350805637.db2.gz ZYLVXUGAUGJSJU-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccnc2ccccc21 ZINC000616608699 350805638 /nfs/dbraw/zinc/80/56/38/350805638.db2.gz ZYLVXUGAUGJSJU-OAHLLOKOSA-N 2 2 241.338 2.330 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000306750896 350959754 /nfs/dbraw/zinc/95/97/54/350959754.db2.gz JRBZTGXORCABAO-BYPYZUCNSA-N 2 2 211.117 2.013 10 0 BEAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cccc(F)c2)C1 ZINC000616631013 351104413 /nfs/dbraw/zinc/10/44/13/351104413.db2.gz XKXCHMIDSZJBGD-CYBMUJFWSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cccc(F)c2)C1 ZINC000616631013 351104415 /nfs/dbraw/zinc/10/44/15/351104415.db2.gz XKXCHMIDSZJBGD-CYBMUJFWSA-N 2 2 236.334 2.354 10 0 BEAELP CC(C)(C)[N@@H+]1CCCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616653901 351195018 /nfs/dbraw/zinc/19/50/18/351195018.db2.gz YPCXMWHMMQXCEO-GFCCVEGCSA-N 2 2 249.358 2.056 10 0 BEAELP CC(C)(C)[N@H+]1CCCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616653901 351195020 /nfs/dbraw/zinc/19/50/20/351195020.db2.gz YPCXMWHMMQXCEO-GFCCVEGCSA-N 2 2 249.358 2.056 10 0 BEAELP CC(C)(C)[N@@H+]1CCO[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616665265 351222448 /nfs/dbraw/zinc/22/24/48/351222448.db2.gz DYVPMGHQNSKSTG-LBPRGKRZSA-N 2 2 249.358 2.056 10 0 BEAELP CC(C)(C)[N@H+]1CCO[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616665265 351222449 /nfs/dbraw/zinc/22/24/49/351222449.db2.gz DYVPMGHQNSKSTG-LBPRGKRZSA-N 2 2 249.358 2.056 10 0 BEAELP C[C@H]1[NH2+]CCC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000307727975 353115169 /nfs/dbraw/zinc/11/51/69/353115169.db2.gz GJQFDJZYVCMCTD-OCCSQVGLSA-N 2 2 218.344 2.259 10 0 BEAELP C[C@H]1[NH2+]CCC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000307727975 353115172 /nfs/dbraw/zinc/11/51/72/353115172.db2.gz GJQFDJZYVCMCTD-OCCSQVGLSA-N 2 2 218.344 2.259 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000020072517 188073860 /nfs/dbraw/zinc/07/38/60/188073860.db2.gz OAFPENVDHGXWAW-CQSZACIVSA-N 2 2 220.360 2.492 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000020072517 188073861 /nfs/dbraw/zinc/07/38/61/188073861.db2.gz OAFPENVDHGXWAW-CQSZACIVSA-N 2 2 220.360 2.492 10 0 BEAELP Cc1[nH]c(C[NH2+][C@@H]2CCCc3occc32)c[nH+]1 ZINC000054821555 188127291 /nfs/dbraw/zinc/12/72/91/188127291.db2.gz WGDUBDXYSZMGPQ-GFCCVEGCSA-N 2 2 231.299 2.478 10 0 BEAELP CC(C)[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000053343454 188164146 /nfs/dbraw/zinc/16/41/46/188164146.db2.gz SKBLASTUPTVFOX-STQMWFEESA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)[C@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000053343454 188164147 /nfs/dbraw/zinc/16/41/47/188164147.db2.gz SKBLASTUPTVFOX-STQMWFEESA-N 2 2 212.381 2.495 10 0 BEAELP CC(C)[N@H+](CC1CC1)[C@@H]1CCCC[NH2+]C1 ZINC000054135469 188176609 /nfs/dbraw/zinc/17/66/09/188176609.db2.gz DKJDPFGWKMORTN-CYBMUJFWSA-N 2 2 210.365 2.249 10 0 BEAELP CC(C)[N@@H+](CC1CC1)[C@@H]1CCCC[NH2+]C1 ZINC000054135469 188176611 /nfs/dbraw/zinc/17/66/11/188176611.db2.gz DKJDPFGWKMORTN-CYBMUJFWSA-N 2 2 210.365 2.249 10 0 BEAELP CC(C)C[C@H](C[NH2+][C@@H]1CCCSC1)[NH+](C)C ZINC000061572290 188223055 /nfs/dbraw/zinc/22/30/55/188223055.db2.gz UCQBRAJSNFFMGE-CHWSQXEVSA-N 2 2 244.448 2.448 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000389188443 355778960 /nfs/dbraw/zinc/77/89/60/355778960.db2.gz TYFWBTQULKTCDL-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000389188443 355778964 /nfs/dbraw/zinc/77/89/64/355778964.db2.gz TYFWBTQULKTCDL-AVGNSLFASA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2OC)C1 ZINC000389249838 355936268 /nfs/dbraw/zinc/93/62/68/355936268.db2.gz MNYVBRAUUMCRBL-CQSZACIVSA-N 2 2 248.370 2.187 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2OC)C1 ZINC000389249838 355936270 /nfs/dbraw/zinc/93/62/70/355936270.db2.gz MNYVBRAUUMCRBL-CQSZACIVSA-N 2 2 248.370 2.187 10 0 BEAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC12CCC(CC1)[NH2+]2 ZINC000675056026 538476963 /nfs/dbraw/zinc/47/69/63/538476963.db2.gz IJJZVLHCRWUGLT-MRFVTOPCSA-N 2 2 222.376 2.391 10 0 BEAELP C[C@@H]1[C@@H](C)CCC[N@H+]1CC12CCC(CC1)[NH2+]2 ZINC000675056026 538476968 /nfs/dbraw/zinc/47/69/68/538476968.db2.gz IJJZVLHCRWUGLT-MRFVTOPCSA-N 2 2 222.376 2.391 10 0 BEAELP CC1CC[NH+](CC23CCC(CC2)[NH2+]3)CC1 ZINC000675055984 538477051 /nfs/dbraw/zinc/47/70/51/538477051.db2.gz GPBBCFXUSDUESZ-UHFFFAOYSA-N 2 2 208.349 2.003 10 0 BEAELP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1cc(F)cc(F)c1 ZINC000257586728 538737166 /nfs/dbraw/zinc/73/71/66/538737166.db2.gz PDEPJIGNWGLTQI-RYUDHWBXSA-N 2 2 226.270 2.059 10 0 BEAELP C[N@H+]1CC[C@H]([NH3+])C[C@H]1c1cc(F)cc(F)c1 ZINC000257586728 538737173 /nfs/dbraw/zinc/73/71/73/538737173.db2.gz PDEPJIGNWGLTQI-RYUDHWBXSA-N 2 2 226.270 2.059 10 0 BEAELP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000257584136 538737319 /nfs/dbraw/zinc/73/73/19/538737319.db2.gz FHNAWGIPICODMB-RYUDHWBXSA-N 2 2 224.735 2.434 10 0 BEAELP C[N@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000257584136 538737324 /nfs/dbraw/zinc/73/73/24/538737324.db2.gz FHNAWGIPICODMB-RYUDHWBXSA-N 2 2 224.735 2.434 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000389586873 356995385 /nfs/dbraw/zinc/99/53/85/356995385.db2.gz ZCLLSMKBPCVGDQ-XDQVBPFNSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000389586873 356995390 /nfs/dbraw/zinc/99/53/90/356995390.db2.gz ZCLLSMKBPCVGDQ-XDQVBPFNSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000389557920 538822950 /nfs/dbraw/zinc/82/29/50/538822950.db2.gz SKBYOKAGSLRSTF-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000389557920 538822959 /nfs/dbraw/zinc/82/29/59/538822959.db2.gz SKBYOKAGSLRSTF-DGCLKSJQSA-N 2 2 210.365 2.249 10 0 BEAELP CC1(C)CN(c2[nH]c3ccccc3[nH+]2)CC[C@@H]1[NH3+] ZINC000261557372 535359947 /nfs/dbraw/zinc/35/99/47/535359947.db2.gz COLWICIKSQVESG-LBPRGKRZSA-N 2 2 244.342 2.127 10 0 BEAELP CC(C)[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000134116584 325344392 /nfs/dbraw/zinc/34/43/92/325344392.db2.gz SQRZWHLZUREQIZ-JHJVBQTASA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000134116584 325344397 /nfs/dbraw/zinc/34/43/97/325344397.db2.gz SQRZWHLZUREQIZ-JHJVBQTASA-N 2 2 224.392 2.493 10 0 BEAELP C[C@]12CC[NH2+][C@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000584620266 358286729 /nfs/dbraw/zinc/28/67/29/358286729.db2.gz XSKJBOIQSNMOAW-LSDHHAIUSA-N 2 2 230.355 2.261 10 0 BEAELP C[C@]12CC[NH2+][C@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000584620266 358286731 /nfs/dbraw/zinc/28/67/31/358286731.db2.gz XSKJBOIQSNMOAW-LSDHHAIUSA-N 2 2 230.355 2.261 10 0 BEAELP C[C@@H](CC1CCC1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000132514664 491136459 /nfs/dbraw/zinc/13/64/59/491136459.db2.gz FPMXKPVTZMJGGO-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H](CC1CCC1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000132514664 491136460 /nfs/dbraw/zinc/13/64/60/491136460.db2.gz FPMXKPVTZMJGGO-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP CC(C)CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177100440 134297263 /nfs/dbraw/zinc/29/72/63/134297263.db2.gz HTLYCVISIKSQSL-CYBMUJFWSA-N 2 2 221.348 2.394 10 0 BEAELP CC(C)CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177100440 134297264 /nfs/dbraw/zinc/29/72/64/134297264.db2.gz HTLYCVISIKSQSL-CYBMUJFWSA-N 2 2 221.348 2.394 10 0 BEAELP CCn1cc[nH+]c1Cn1cc[nH+]c1C(C)C ZINC000070422961 359053340 /nfs/dbraw/zinc/05/33/40/359053340.db2.gz HCNQSRYCSPOOHH-UHFFFAOYSA-N 2 2 218.304 2.271 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000309058390 491143590 /nfs/dbraw/zinc/14/35/90/491143590.db2.gz VMWJJFVWWZJFLU-LBPRGKRZSA-N 2 2 210.365 2.251 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000309058390 491143591 /nfs/dbraw/zinc/14/35/91/491143591.db2.gz VMWJJFVWWZJFLU-LBPRGKRZSA-N 2 2 210.365 2.251 10 0 BEAELP C[C@@H]1CC[N@H+](Cc2cc[nH]c2)C[C@@H]1n1cc[nH+]c1 ZINC000091960647 360138347 /nfs/dbraw/zinc/13/83/47/360138347.db2.gz NDKNSLMEBJESOY-OCCSQVGLSA-N 2 2 244.342 2.294 10 0 BEAELP C[C@@H]1CC[N@@H+](Cc2cc[nH]c2)C[C@@H]1n1cc[nH+]c1 ZINC000091960647 360138352 /nfs/dbraw/zinc/13/83/52/360138352.db2.gz NDKNSLMEBJESOY-OCCSQVGLSA-N 2 2 244.342 2.294 10 0 BEAELP CC[C@@H](C)C[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000093066663 360213544 /nfs/dbraw/zinc/21/35/44/360213544.db2.gz IEOQKEFEHSHTPG-PWSUYJOCSA-N 2 2 221.348 2.142 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000309440414 491148225 /nfs/dbraw/zinc/14/82/25/491148225.db2.gz IIDFVMYKBQJBBO-BFHYXJOUSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000309440414 491148226 /nfs/dbraw/zinc/14/82/26/491148226.db2.gz IIDFVMYKBQJBBO-BFHYXJOUSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H](Nc2cc(C)cc[nH+]2)C1 ZINC000309668618 491154227 /nfs/dbraw/zinc/15/42/27/491154227.db2.gz VEPFCSGTWUEDRY-NWDGAFQWSA-N 2 2 219.332 2.142 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H](Nc2cc(C)cc[nH+]2)C1 ZINC000309668618 491154228 /nfs/dbraw/zinc/15/42/28/491154228.db2.gz VEPFCSGTWUEDRY-NWDGAFQWSA-N 2 2 219.332 2.142 10 0 BEAELP C[C@H]1CN(c2[nH+]ccc3ccccc32)C[C@H]1C[NH3+] ZINC000630554559 364250318 /nfs/dbraw/zinc/25/03/18/364250318.db2.gz QJERJEYWHMVQFK-WCQYABFASA-N 2 2 241.338 2.266 10 0 BEAELP COc1ccc[nH+]c1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000630559289 364260425 /nfs/dbraw/zinc/26/04/25/364260425.db2.gz XKHLTYXXUDNITL-XYPYZODXSA-N 2 2 235.331 2.020 10 0 BEAELP [NH3+]CC1([NH+]2CCCCCCC2)CCSCC1 ZINC000042334980 181360135 /nfs/dbraw/zinc/36/01/35/181360135.db2.gz YODMIUVYCZSGOD-UHFFFAOYSA-N 2 2 242.432 2.477 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000581595160 367622052 /nfs/dbraw/zinc/62/20/52/367622052.db2.gz SDBAULYHZFCJTH-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000581595160 367622060 /nfs/dbraw/zinc/62/20/60/367622060.db2.gz SDBAULYHZFCJTH-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CCOc1cccc([C@@H](C[NH3+])[NH+]2CCCC2)c1 ZINC000038970638 372838183 /nfs/dbraw/zinc/83/81/83/372838183.db2.gz UDVDKZWKQHYDTB-CQSZACIVSA-N 2 2 234.343 2.181 10 0 BEAELP CCOc1cccc([C@H](C[NH3+])[NH+]2CCCC2)c1 ZINC000038970639 372839048 /nfs/dbraw/zinc/83/90/48/372839048.db2.gz UDVDKZWKQHYDTB-AWEZNQCLSA-N 2 2 234.343 2.181 10 0 BEAELP CCOc1cccc(C[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000040673184 373593289 /nfs/dbraw/zinc/59/32/89/373593289.db2.gz BEHDBQGVYWYIKI-AWEZNQCLSA-N 2 2 248.370 2.269 10 0 BEAELP CCOc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000040673184 373593298 /nfs/dbraw/zinc/59/32/98/373593298.db2.gz BEHDBQGVYWYIKI-AWEZNQCLSA-N 2 2 248.370 2.269 10 0 BEAELP Cc1cc([C@H]2[C@@H]([NH3+])CC[N@H+]2C)c(C)s1 ZINC000069799070 373807383 /nfs/dbraw/zinc/80/73/83/373807383.db2.gz CSXFVOZKOIPULA-QWRGUYRKSA-N 2 2 210.346 2.069 10 0 BEAELP Cc1cc([C@H]2[C@@H]([NH3+])CC[N@@H+]2C)c(C)s1 ZINC000069799070 373807386 /nfs/dbraw/zinc/80/73/86/373807386.db2.gz CSXFVOZKOIPULA-QWRGUYRKSA-N 2 2 210.346 2.069 10 0 BEAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1cccnc1 ZINC000019257106 169150356 /nfs/dbraw/zinc/15/03/56/169150356.db2.gz LKVQXTGLQKJSOQ-ZDUSSCGKSA-N 2 2 221.348 2.203 10 0 BEAELP CCC[NH+](CCC)[C@H](C[NH3+])c1cccnc1 ZINC000019257108 169151778 /nfs/dbraw/zinc/15/17/78/169151778.db2.gz LKVQXTGLQKJSOQ-CYBMUJFWSA-N 2 2 221.348 2.203 10 0 BEAELP CCC[N@H+](Cc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000082500416 169180004 /nfs/dbraw/zinc/18/00/04/169180004.db2.gz STMYMMKOPRAAJP-LBPRGKRZSA-N 2 2 222.332 2.244 10 0 BEAELP CCC[N@@H+](Cc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000082500416 169180005 /nfs/dbraw/zinc/18/00/05/169180005.db2.gz STMYMMKOPRAAJP-LBPRGKRZSA-N 2 2 222.332 2.244 10 0 BEAELP CCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178330101 169198012 /nfs/dbraw/zinc/19/80/12/169198012.db2.gz BVEARDKCZNMTGI-GFCCVEGCSA-N 2 2 207.321 2.066 10 0 BEAELP CCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178330101 169198015 /nfs/dbraw/zinc/19/80/15/169198015.db2.gz BVEARDKCZNMTGI-GFCCVEGCSA-N 2 2 207.321 2.066 10 0 BEAELP c1cn(C(c2ccccc2)n2cc[nH+]c2)c[nH+]1 ZINC000028766384 183388121 /nfs/dbraw/zinc/38/81/21/183388121.db2.gz CFUFQYGMVSPEFM-UHFFFAOYSA-N 2 2 224.267 2.175 10 0 BEAELP CCC[NH2+][C@H](C)c1csc(C[NH+](C)C)n1 ZINC000070841861 169288413 /nfs/dbraw/zinc/28/84/13/169288413.db2.gz OZBVADCKLINRGH-SECBINFHSA-N 2 2 227.377 2.265 10 0 BEAELP CCC[NH2+]Cc1ccnc(-n2cc[nH+]c2CC)c1 ZINC000051517967 169268538 /nfs/dbraw/zinc/26/85/38/169268538.db2.gz FNGFXAKBUQZXNM-UHFFFAOYSA-N 2 2 244.342 2.329 10 0 BEAELP c1ccc(C[N@@H+]2CCCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000076677774 183397152 /nfs/dbraw/zinc/39/71/52/183397152.db2.gz MVQSUYJXDXHSTL-GJZGRUSLSA-N 2 2 230.355 2.403 10 0 BEAELP c1ccc(C[N@H+]2CCCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000076677774 183397153 /nfs/dbraw/zinc/39/71/53/183397153.db2.gz MVQSUYJXDXHSTL-GJZGRUSLSA-N 2 2 230.355 2.403 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000037241595 169282293 /nfs/dbraw/zinc/28/22/93/169282293.db2.gz CQMMMGCCPZRUGE-OAHLLOKOSA-N 2 2 232.371 2.303 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000037241595 169282294 /nfs/dbraw/zinc/28/22/94/169282294.db2.gz CQMMMGCCPZRUGE-OAHLLOKOSA-N 2 2 232.371 2.303 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccco2)C[C@@H]1C ZINC000049708497 169282937 /nfs/dbraw/zinc/28/29/37/169282937.db2.gz USRJVVGMPIKJAQ-GXTWGEPZSA-N 2 2 236.359 2.490 10 0 BEAELP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccco2)C[C@@H]1C ZINC000049708497 169282938 /nfs/dbraw/zinc/28/29/38/169282938.db2.gz USRJVVGMPIKJAQ-GXTWGEPZSA-N 2 2 236.359 2.490 10 0 BEAELP CCCOc1ccc(-c2[nH+]c[nH]c2CC[NH3+])cc1 ZINC000071559917 169316139 /nfs/dbraw/zinc/31/61/39/169316139.db2.gz YPZYAGWKLQXIGV-UHFFFAOYSA-N 2 2 245.326 2.367 10 0 BEAELP CCCNc1[nH+]cnc(Nc2cc[nH+]cc2)c1N ZINC000040687506 169296680 /nfs/dbraw/zinc/29/66/80/169296680.db2.gz ZZWVEMHEPBCYKT-UHFFFAOYSA-N 2 2 244.302 2.019 10 0 BEAELP CCC[C@@H](C(=O)Nc1cc[nH+]cc1C)[NH+](C)C ZINC000153519281 169346751 /nfs/dbraw/zinc/34/67/51/169346751.db2.gz ZJMZMYKMDFSWII-LBPRGKRZSA-N 2 2 235.331 2.059 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336750780 169359705 /nfs/dbraw/zinc/35/97/05/169359705.db2.gz ZUJSOYFZAVYTEP-GHMZBOCLSA-N 2 2 221.348 2.293 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336750780 169359706 /nfs/dbraw/zinc/35/97/06/169359706.db2.gz ZUJSOYFZAVYTEP-GHMZBOCLSA-N 2 2 221.348 2.293 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000040502507 169360021 /nfs/dbraw/zinc/36/00/21/169360021.db2.gz XVLQHBMVDIJLFA-CHWSQXEVSA-N 2 2 212.381 2.497 10 0 BEAELP CCC[C@@H](C)C[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000040502507 169360022 /nfs/dbraw/zinc/36/00/22/169360022.db2.gz XVLQHBMVDIJLFA-CHWSQXEVSA-N 2 2 212.381 2.497 10 0 BEAELP C[C@H]([NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000222740872 134333911 /nfs/dbraw/zinc/33/39/11/134333911.db2.gz IPOXUOZTSRRLTI-QJPTWQEYSA-N 2 2 222.332 2.413 10 0 BEAELP CCc1[nH+]ccn1Cc1[nH+]ccn1C(C)C ZINC000158423888 384189567 /nfs/dbraw/zinc/18/95/67/384189567.db2.gz FPHIEJLJAXNCGO-UHFFFAOYSA-N 2 2 218.304 2.271 10 0 BEAELP FCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000132869073 384257006 /nfs/dbraw/zinc/25/70/06/384257006.db2.gz RIMLPJQAWQIFCJ-GFCCVEGCSA-N 2 2 237.322 2.175 10 0 BEAELP FCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000132869073 384257012 /nfs/dbraw/zinc/25/70/12/384257012.db2.gz RIMLPJQAWQIFCJ-GFCCVEGCSA-N 2 2 237.322 2.175 10 0 BEAELP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1nccs1 ZINC000095068327 384330734 /nfs/dbraw/zinc/33/07/34/384330734.db2.gz QFBAZHKNXKPXAC-UTLUCORTSA-N 2 2 225.361 2.064 10 0 BEAELP C[C@H](C[NH2+]CC1CCC(C)CC1)[NH+](C)C ZINC000084339329 384391089 /nfs/dbraw/zinc/39/10/89/384391089.db2.gz JJGIBBJYPDAVIC-OTTFEQOBSA-N 2 2 212.381 2.352 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)C(C)C ZINC000036787576 384459737 /nfs/dbraw/zinc/45/97/37/384459737.db2.gz IUDVKICZHWJTJD-NWDGAFQWSA-N 2 2 200.370 2.336 10 0 BEAELP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)C(C)C ZINC000036787576 384459741 /nfs/dbraw/zinc/45/97/41/384459741.db2.gz IUDVKICZHWJTJD-NWDGAFQWSA-N 2 2 200.370 2.336 10 0 BEAELP CCC[C@H](C)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037156843 384484691 /nfs/dbraw/zinc/48/46/91/384484691.db2.gz LMELOVQSELIKJT-NWDGAFQWSA-N 2 2 209.337 2.297 10 0 BEAELP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(C)C)C2 ZINC000150971589 384524458 /nfs/dbraw/zinc/52/44/58/384524458.db2.gz HQYQECNAJVFHOE-NEPJUHHUSA-N 2 2 221.348 2.140 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403324833 384633397 /nfs/dbraw/zinc/63/33/97/384633397.db2.gz BFUJCSMTHSVYJK-RQJABVFESA-N 2 2 222.376 2.106 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403324833 384633401 /nfs/dbraw/zinc/63/34/01/384633401.db2.gz BFUJCSMTHSVYJK-RQJABVFESA-N 2 2 222.376 2.106 10 0 BEAELP c1[nH]c(Cc2ccccc2)[nH+]c1C1CC[NH2+]CC1 ZINC000082048222 384643614 /nfs/dbraw/zinc/64/36/14/384643614.db2.gz WKHLVNQRMVMRLG-UHFFFAOYSA-N 2 2 241.338 2.468 10 0 BEAELP c1[nH+]c(Cc2ccccc2)[nH]c1C1CC[NH2+]CC1 ZINC000082048222 384643622 /nfs/dbraw/zinc/64/36/22/384643622.db2.gz WKHLVNQRMVMRLG-UHFFFAOYSA-N 2 2 241.338 2.468 10 0 BEAELP CCC[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000044380455 384655731 /nfs/dbraw/zinc/65/57/31/384655731.db2.gz BUTZAYONVCADBH-UHFFFAOYSA-N 2 2 206.333 2.118 10 0 BEAELP CCC[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000044380455 384655737 /nfs/dbraw/zinc/65/57/37/384655737.db2.gz BUTZAYONVCADBH-UHFFFAOYSA-N 2 2 206.333 2.118 10 0 BEAELP C[NH2+]CCCNc1ccc2ccccc2[nH+]1 ZINC000146294002 385137758 /nfs/dbraw/zinc/13/77/58/385137758.db2.gz NMLYYRCIJHMNPO-UHFFFAOYSA-N 2 2 215.300 2.256 10 0 BEAELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000336326608 385206182 /nfs/dbraw/zinc/20/61/82/385206182.db2.gz SOMJAEVNRGAJIC-MWLCHTKSSA-N 2 2 219.332 2.045 10 0 BEAELP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000336326608 385206189 /nfs/dbraw/zinc/20/61/89/385206189.db2.gz SOMJAEVNRGAJIC-MWLCHTKSSA-N 2 2 219.332 2.045 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073489 385411701 /nfs/dbraw/zinc/41/17/01/385411701.db2.gz PFEXFQONOYGOKR-XQQFMLRXSA-N 2 2 212.381 2.338 10 0 BEAELP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073489 385411703 /nfs/dbraw/zinc/41/17/03/385411703.db2.gz PFEXFQONOYGOKR-XQQFMLRXSA-N 2 2 212.381 2.338 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)CCCC[NH3+] ZINC000336692499 385734675 /nfs/dbraw/zinc/73/46/75/385734675.db2.gz HUZKCMUFBBYMAW-ZIAGYGMSSA-N 3 2 243.439 2.070 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000336697912 385755407 /nfs/dbraw/zinc/75/54/07/385755407.db2.gz JAPFNEWCROJBST-BFHYXJOUSA-N 2 2 242.407 2.120 10 0 BEAELP CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C(C)(C)C ZINC000336654237 385721050 /nfs/dbraw/zinc/72/10/50/385721050.db2.gz MRPRYQLQMMHVRG-MNOVXSKESA-N 2 2 200.370 2.351 10 0 BEAELP CCC[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000336721899 386001888 /nfs/dbraw/zinc/00/18/88/386001888.db2.gz DPYAAGAVNHFDAJ-QWHCGFSZSA-N 2 2 221.348 2.442 10 0 BEAELP CCSCC[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000336756666 386571952 /nfs/dbraw/zinc/57/19/52/386571952.db2.gz IXOCXUCJYCPOMP-RYUDHWBXSA-N 2 2 230.421 2.058 10 0 BEAELP CCSCC[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000336756666 386571957 /nfs/dbraw/zinc/57/19/57/386571957.db2.gz IXOCXUCJYCPOMP-RYUDHWBXSA-N 2 2 230.421 2.058 10 0 BEAELP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC)C1)C1CCC1 ZINC000324882957 386676881 /nfs/dbraw/zinc/67/68/81/386676881.db2.gz DUIHIFDPPCDISI-CHWSQXEVSA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)C1CCC1 ZINC000324882957 386676888 /nfs/dbraw/zinc/67/68/88/386676888.db2.gz DUIHIFDPPCDISI-CHWSQXEVSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000396589032 386778916 /nfs/dbraw/zinc/77/89/16/386778916.db2.gz SLMLYLKXUWLUMH-OUCADQQQSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1ccc([C@@H]([NH3+])C[NH3+])c2ccccc12 ZINC000044469687 386780346 /nfs/dbraw/zinc/78/03/46/386780346.db2.gz MCLHQSWECLRUSD-ZDUSSCGKSA-N 2 2 200.285 2.107 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000323994744 386955901 /nfs/dbraw/zinc/95/59/01/386955901.db2.gz LZRXAUNDRPSIMJ-STQMWFEESA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000323994744 386955904 /nfs/dbraw/zinc/95/59/04/386955904.db2.gz LZRXAUNDRPSIMJ-STQMWFEESA-N 2 2 210.365 2.105 10 0 BEAELP Cc1cc[nH+]cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250863380 387175752 /nfs/dbraw/zinc/17/57/52/387175752.db2.gz FBPKKIOGQGLNBJ-OLZOCXBDSA-N 2 2 231.343 2.429 10 0 BEAELP Cc1cc[nH+]cc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250863380 387175757 /nfs/dbraw/zinc/17/57/57/387175757.db2.gz FBPKKIOGQGLNBJ-OLZOCXBDSA-N 2 2 231.343 2.429 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000035677031 387438526 /nfs/dbraw/zinc/43/85/26/387438526.db2.gz NDPPMYOFLQQIAG-MRVPVSSYSA-N 2 2 236.262 2.257 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324854554 387541473 /nfs/dbraw/zinc/54/14/73/387541473.db2.gz ZARWZQRIBIMINB-ZIAGYGMSSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324854554 387541476 /nfs/dbraw/zinc/54/14/76/387541476.db2.gz ZARWZQRIBIMINB-ZIAGYGMSSA-N 2 2 222.376 2.249 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)[C@H]1C[C@H]1C ZINC000321034238 387933778 /nfs/dbraw/zinc/93/37/78/387933778.db2.gz DGOVODOQKIDSAM-MQYQWHSLSA-N 2 2 224.392 2.495 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)[C@H]1C[C@H]1C ZINC000321034238 387933781 /nfs/dbraw/zinc/93/37/81/387933781.db2.gz DGOVODOQKIDSAM-MQYQWHSLSA-N 2 2 224.392 2.495 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)[C@@H]1C[C@@H]1C ZINC000321034236 387934576 /nfs/dbraw/zinc/93/45/76/387934576.db2.gz DGOVODOQKIDSAM-DGAVXFQQSA-N 2 2 224.392 2.495 10 0 BEAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)[C@@H]1C[C@@H]1C ZINC000321034236 387934580 /nfs/dbraw/zinc/93/45/80/387934580.db2.gz DGOVODOQKIDSAM-DGAVXFQQSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000250320535 135051351 /nfs/dbraw/zinc/05/13/51/135051351.db2.gz NBMFTUNBKDOAIX-OLZOCXBDSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000250320535 135051353 /nfs/dbraw/zinc/05/13/53/135051353.db2.gz NBMFTUNBKDOAIX-OLZOCXBDSA-N 2 2 212.381 2.495 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000397801856 388500663 /nfs/dbraw/zinc/50/06/63/388500663.db2.gz MRTONOGBCPYHPC-SDDRHHMPSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000397801856 388500664 /nfs/dbraw/zinc/50/06/64/388500664.db2.gz MRTONOGBCPYHPC-SDDRHHMPSA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@@H]1CC[C@H]([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000251711533 135074475 /nfs/dbraw/zinc/07/44/75/135074475.db2.gz RIMSHCFHCJAUAK-UPJWGTAASA-N 2 2 221.348 2.440 10 0 BEAELP CC1CCC(C[NH2+]CC[NH+]2CCCC2)CC1 ZINC000084330849 135211477 /nfs/dbraw/zinc/21/14/77/135211477.db2.gz JHIXXFARBFUMCW-UHFFFAOYSA-N 2 2 224.392 2.498 10 0 BEAELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1C/C=C/c1ccccc1 ZINC000261591089 135231663 /nfs/dbraw/zinc/23/16/63/135231663.db2.gz UYPYBGJOPXZSMI-BZDIYLISSA-N 2 2 216.328 2.121 10 0 BEAELP C[C@H]1[C@H]([NH3+])CC[N@H+]1C/C=C/c1ccccc1 ZINC000261591089 135231664 /nfs/dbraw/zinc/23/16/64/135231664.db2.gz UYPYBGJOPXZSMI-BZDIYLISSA-N 2 2 216.328 2.121 10 0 BEAELP C[C@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000261985276 135269581 /nfs/dbraw/zinc/26/95/81/135269581.db2.gz JQRNDNFOJXRADY-ILUUYBRNSA-N 2 2 234.318 2.118 10 0 BEAELP C[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000261985276 135269582 /nfs/dbraw/zinc/26/95/82/135269582.db2.gz JQRNDNFOJXRADY-ILUUYBRNSA-N 2 2 234.318 2.118 10 0 BEAELP C[C@H](C[NH3+])CNc1ccc2ccccc2[nH+]1 ZINC000083387626 487588396 /nfs/dbraw/zinc/58/83/96/487588396.db2.gz PHNJJMWSBFFMRU-SNVBAGLBSA-N 2 2 215.300 2.242 10 0 BEAELP CC(C)C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000047889493 167009716 /nfs/dbraw/zinc/00/97/16/167009716.db2.gz VQNPKKOSFUVGTQ-UHFFFAOYSA-N 2 2 230.315 2.013 10 0 BEAELP CC(C)C[NH2+][C@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000037106654 167014850 /nfs/dbraw/zinc/01/48/50/167014850.db2.gz UWKYPMBVWIMYBR-NWDGAFQWSA-N 2 2 207.321 2.222 10 0 BEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccco1 ZINC000062771999 167394371 /nfs/dbraw/zinc/39/43/71/167394371.db2.gz UHMDHZVSIAERTE-GXTWGEPZSA-N 2 2 238.375 2.386 10 0 BEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCc1ccccc1 ZINC000049195293 167394701 /nfs/dbraw/zinc/39/47/01/167394701.db2.gz ZTUTUCUXAYYZDQ-OAHLLOKOSA-N 2 2 234.387 2.405 10 0 BEAELP Cc1cc[nH+]c(NCC2([NH3+])CCCC2)c1 ZINC000656611016 411310507 /nfs/dbraw/zinc/31/05/07/411310507.db2.gz YCRPKPFJKMGNBP-UHFFFAOYSA-N 2 2 205.305 2.073 10 0 BEAELP Cc1cc2ccccc2[nH+]c1N1CC[C@H](C[NH3+])C1 ZINC000063106355 411341700 /nfs/dbraw/zinc/34/17/00/411341700.db2.gz AYMQOVUYEBFEED-GFCCVEGCSA-N 2 2 241.338 2.328 10 0 BEAELP CC1CC([NH2+]C[C@H]2CCCn3cc[nH+]c32)C1 ZINC000334522336 168145057 /nfs/dbraw/zinc/14/50/57/168145057.db2.gz BHYWRABYKHIXRW-MOENNCHZSA-N 2 2 219.332 2.149 10 0 BEAELP CC1CCC([NH2+][C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000019946134 168164016 /nfs/dbraw/zinc/16/40/16/168164016.db2.gz FHYYCDQSLBVNKT-UXUKBGGZSA-N 2 2 222.376 2.249 10 0 BEAELP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(C)n2C)o1 ZINC000657293300 411450352 /nfs/dbraw/zinc/45/03/52/411450352.db2.gz ZIOWFRHCFKIKHB-JTQLQIEISA-N 2 2 233.315 2.481 10 0 BEAELP CCC[C@H]1C[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657385880 411489541 /nfs/dbraw/zinc/48/95/41/411489541.db2.gz UPYPHWTYNSDWEY-JQWIXIFHSA-N 2 2 219.332 2.108 10 0 BEAELP c1[nH+]c2n(c1C[NH2+][C@@H]1CCC[C@H]3C[C@H]31)CCC2 ZINC000657501572 411538492 /nfs/dbraw/zinc/53/84/92/411538492.db2.gz ZHQMTAHHCOJHCZ-CYZMBNFOSA-N 2 2 231.343 2.108 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000336895517 170021439 /nfs/dbraw/zinc/02/14/39/170021439.db2.gz MZAGRJRUZNNMFA-RDBSUJKOSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000336895517 170021441 /nfs/dbraw/zinc/02/14/41/170021441.db2.gz MZAGRJRUZNNMFA-RDBSUJKOSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000328464201 170021585 /nfs/dbraw/zinc/02/15/85/170021585.db2.gz IOZYHDUGJQHWSX-OLZOCXBDSA-N 2 2 208.349 2.027 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000328464201 170021587 /nfs/dbraw/zinc/02/15/87/170021587.db2.gz IOZYHDUGJQHWSX-OLZOCXBDSA-N 2 2 208.349 2.027 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000328199370 170022223 /nfs/dbraw/zinc/02/22/23/170022223.db2.gz RODLHYPMUOXWLJ-RFQIPJPRSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000328199370 170022224 /nfs/dbraw/zinc/02/22/24/170022224.db2.gz RODLHYPMUOXWLJ-RFQIPJPRSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000309034841 170029596 /nfs/dbraw/zinc/02/95/96/170029596.db2.gz HOFOMBIJFSYNPG-NEPJUHHUSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000309034841 170029598 /nfs/dbraw/zinc/02/95/98/170029598.db2.gz HOFOMBIJFSYNPG-NEPJUHHUSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@H](C)CC2CC2)[C@@H](C)C1 ZINC000309066133 170036675 /nfs/dbraw/zinc/03/66/75/170036675.db2.gz ZNKRKHLHGCFOGM-LOWVWBTDSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CC2CC2)[C@@H](C)C1 ZINC000309066133 170036676 /nfs/dbraw/zinc/03/66/76/170036676.db2.gz ZNKRKHLHGCFOGM-LOWVWBTDSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(SC)CCC2)C1 ZINC000336777156 170036700 /nfs/dbraw/zinc/03/67/00/170036700.db2.gz HOFINXAYNWHHNV-NWDGAFQWSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(SC)CCC2)C1 ZINC000336777156 170036701 /nfs/dbraw/zinc/03/67/01/170036701.db2.gz HOFINXAYNWHHNV-NWDGAFQWSA-N 2 2 242.432 2.202 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@H](C)CC(C)C)[C@@H](C)C1 ZINC000309034594 170037167 /nfs/dbraw/zinc/03/71/67/170037167.db2.gz HJHCUHJFXFDRSM-XQQFMLRXSA-N 2 2 212.381 2.351 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CC(C)C)[C@@H](C)C1 ZINC000309034594 170037168 /nfs/dbraw/zinc/03/71/68/170037168.db2.gz HJHCUHJFXFDRSM-XQQFMLRXSA-N 2 2 212.381 2.351 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2CCSCC2)C1 ZINC000309419805 170037253 /nfs/dbraw/zinc/03/72/53/170037253.db2.gz AKRMCUOWZKSCLU-WCQYABFASA-N 2 2 242.432 2.059 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2CCSCC2)C1 ZINC000309419805 170037254 /nfs/dbraw/zinc/03/72/54/170037254.db2.gz AKRMCUOWZKSCLU-WCQYABFASA-N 2 2 242.432 2.059 10 0 BEAELP CC[NH2+]CCSc1cccc2[nH+]ccn21 ZINC000089201257 170116698 /nfs/dbraw/zinc/11/66/98/170116698.db2.gz UPSFMQPNYLEPAS-UHFFFAOYSA-N 2 2 221.329 2.036 10 0 BEAELP CC[NH2+]C[C@@H](C)C[N@@H+]1CCOc2ccccc2C1 ZINC000063013436 170118835 /nfs/dbraw/zinc/11/88/35/170118835.db2.gz WKXRUIOJIGVFLP-CYBMUJFWSA-N 2 2 248.370 2.127 10 0 BEAELP CC[NH2+]C[C@@H](C)C[N@H+]1CCOc2ccccc2C1 ZINC000063013436 170118837 /nfs/dbraw/zinc/11/88/37/170118837.db2.gz WKXRUIOJIGVFLP-CYBMUJFWSA-N 2 2 248.370 2.127 10 0 BEAELP CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000020096526 170122365 /nfs/dbraw/zinc/12/23/65/170122365.db2.gz IZMDRFWXHALJNR-CQSZACIVSA-N 2 2 218.344 2.433 10 0 BEAELP CC[NH2+]Cc1cc(F)ccc1-n1cc[nH+]c1 ZINC000037236842 170125572 /nfs/dbraw/zinc/12/55/72/170125572.db2.gz FPSKIIZGHNEHFK-UHFFFAOYSA-N 2 2 219.263 2.121 10 0 BEAELP CC[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000034653465 170126213 /nfs/dbraw/zinc/12/62/13/170126213.db2.gz RMMJEYDTINGCGN-UHFFFAOYSA-N 2 2 219.263 2.121 10 0 BEAELP CC[NH2+][C@@H](C)C[N@H+](C)Cc1cccc(OC)c1 ZINC000043911929 170139581 /nfs/dbraw/zinc/13/95/81/170139581.db2.gz GFORDLFJGPHIBC-LBPRGKRZSA-N 2 2 236.359 2.125 10 0 BEAELP CC[NH2+][C@@H](C)C[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911929 170139583 /nfs/dbraw/zinc/13/95/83/170139583.db2.gz GFORDLFJGPHIBC-LBPRGKRZSA-N 2 2 236.359 2.125 10 0 BEAELP CC[NH2+][C@@H](C[NH3+])c1c(OC)ccc2ccccc21 ZINC000050270312 170144975 /nfs/dbraw/zinc/14/49/75/170144975.db2.gz FOCINLRJKZHJQV-ZDUSSCGKSA-N 2 2 244.338 2.458 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000037719613 170151609 /nfs/dbraw/zinc/15/16/09/170151609.db2.gz SJGYGBPISBAGSR-OAHLLOKOSA-N 2 2 232.371 2.303 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000037719613 170151611 /nfs/dbraw/zinc/15/16/11/170151611.db2.gz SJGYGBPISBAGSR-OAHLLOKOSA-N 2 2 232.371 2.303 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+](Cc2ccco2)[C@H](C)C1 ZINC000049708516 170152008 /nfs/dbraw/zinc/15/20/08/170152008.db2.gz KFPHSRYQWOJOGK-VXGBXAGGSA-N 2 2 222.332 2.242 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccco2)[C@H](C)C1 ZINC000049708516 170152010 /nfs/dbraw/zinc/15/20/10/170152010.db2.gz KFPHSRYQWOJOGK-VXGBXAGGSA-N 2 2 222.332 2.242 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000051631923 170152790 /nfs/dbraw/zinc/15/27/90/170152790.db2.gz BTCMJYJQUUSQSG-HZPDHXFCSA-N 2 2 244.382 2.228 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000051631923 170152791 /nfs/dbraw/zinc/15/27/91/170152791.db2.gz BTCMJYJQUUSQSG-HZPDHXFCSA-N 2 2 244.382 2.228 10 0 BEAELP CC[NH2+][C@H](C)CC[N@@H+]1CCOc2ccccc2C1 ZINC000063012603 170156821 /nfs/dbraw/zinc/15/68/21/170156821.db2.gz QYGHOJOONRBMQC-CYBMUJFWSA-N 2 2 248.370 2.269 10 0 BEAELP CC[NH2+][C@H](C)CC[N@H+]1CCOc2ccccc2C1 ZINC000063012603 170156822 /nfs/dbraw/zinc/15/68/22/170156822.db2.gz QYGHOJOONRBMQC-CYBMUJFWSA-N 2 2 248.370 2.269 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000037241128 170167966 /nfs/dbraw/zinc/16/79/66/170167966.db2.gz XBRSGOWUMJUFBR-AWEZNQCLSA-N 2 2 236.334 2.052 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000037241128 170167967 /nfs/dbraw/zinc/16/79/67/170167967.db2.gz XBRSGOWUMJUFBR-AWEZNQCLSA-N 2 2 236.334 2.052 10 0 BEAELP CCOCCC[NH2+]CC[NH+]1CCC(C)(C)CC1 ZINC000061823437 170380705 /nfs/dbraw/zinc/38/07/05/170380705.db2.gz NUYYNINPDXYKCM-UHFFFAOYSA-N 2 2 242.407 2.125 10 0 BEAELP CC[C@@H]([NH3+])[C@H](c1ccccc1OC)n1cc[nH+]c1 ZINC000043098680 170869374 /nfs/dbraw/zinc/86/93/74/170869374.db2.gz WSTVICHWDUFXBQ-OCCSQVGLSA-N 2 2 245.326 2.218 10 0 BEAELP CC[C@@H]1CC[N@H+](Cc2ccc(OC)cc2)CC[NH2+]1 ZINC000049660995 171010722 /nfs/dbraw/zinc/01/07/22/171010722.db2.gz LEUGXXFJMYTVBC-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP CC[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2)CC[NH2+]1 ZINC000049660995 171010723 /nfs/dbraw/zinc/01/07/23/171010723.db2.gz LEUGXXFJMYTVBC-CQSZACIVSA-N 2 2 248.370 2.269 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000336680691 171045192 /nfs/dbraw/zinc/04/51/92/171045192.db2.gz CWCNAWPSOTUFDZ-YIYPIFLZSA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000336680691 171045195 /nfs/dbraw/zinc/04/51/95/171045195.db2.gz CWCNAWPSOTUFDZ-YIYPIFLZSA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000336680690 171045594 /nfs/dbraw/zinc/04/55/94/171045594.db2.gz CWCNAWPSOTUFDZ-RFQIPJPRSA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000336680690 171045598 /nfs/dbraw/zinc/04/55/98/171045598.db2.gz CWCNAWPSOTUFDZ-RFQIPJPRSA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@@H]1C[N@H+](C[C@@H](C)C[NH2+]C(C)(C)C)CCO1 ZINC000052476970 171084609 /nfs/dbraw/zinc/08/46/09/171084609.db2.gz YYBBZTQMKWQVTD-QWHCGFSZSA-N 2 2 242.407 2.121 10 0 BEAELP CC[C@@H]1C[N@@H+](C[C@@H](C)C[NH2+]C(C)(C)C)CCO1 ZINC000052476970 171084612 /nfs/dbraw/zinc/08/46/12/171084612.db2.gz YYBBZTQMKWQVTD-QWHCGFSZSA-N 2 2 242.407 2.121 10 0 BEAELP CC[C@H](C)[C@@H](C[NH3+])[N@H+](CC)Cc1ccncc1 ZINC000042515331 171368437 /nfs/dbraw/zinc/36/84/37/171368437.db2.gz LDIRZSQQMSWKDR-GXTWGEPZSA-N 2 2 235.375 2.277 10 0 BEAELP CC[C@H](C)[C@@H](C[NH3+])[N@@H+](CC)Cc1ccncc1 ZINC000042515331 171368438 /nfs/dbraw/zinc/36/84/38/171368438.db2.gz LDIRZSQQMSWKDR-GXTWGEPZSA-N 2 2 235.375 2.277 10 0 BEAELP CC[C@H](C)[C@@H]([NH3+])C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073517 171372215 /nfs/dbraw/zinc/37/22/15/171372215.db2.gz UUXOUHJJKYPAKH-RNJOBUHISA-N 2 2 212.381 2.338 10 0 BEAELP CC[C@H](C)[C@@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073517 171372216 /nfs/dbraw/zinc/37/22/16/171372216.db2.gz UUXOUHJJKYPAKH-RNJOBUHISA-N 2 2 212.381 2.338 10 0 BEAELP CC[C@]1([NH3+])CC=C([NH3+])C=C1c1ccccc1 ZINC000100260244 171724084 /nfs/dbraw/zinc/72/40/84/171724084.db2.gz LBFMLNQGRLQAJP-AWEZNQCLSA-N 2 2 214.312 2.424 10 0 BEAELP CCc1[nH+]c2ccccc2n1CCCC(N)=[NH2+] ZINC000062807740 172014137 /nfs/dbraw/zinc/01/41/37/172014137.db2.gz HVSRXVFRRDFTOB-UHFFFAOYSA-N 2 2 230.315 2.315 10 0 BEAELP CCn1cc[nH+]c1C[C@H]([NH3+])Cc1ccccc1 ZINC000061881038 172226649 /nfs/dbraw/zinc/22/66/49/172226649.db2.gz JDWNQGVCSZHIPD-CYBMUJFWSA-N 2 2 229.327 2.016 10 0 BEAELP C[N@H+](CC[NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC000061992736 172747244 /nfs/dbraw/zinc/74/72/44/172747244.db2.gz JYUUIYJLGHWDQE-HNNXBMFYSA-N 2 2 230.355 2.358 10 0 BEAELP C[N@@H+](CC[NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC000061992736 172747247 /nfs/dbraw/zinc/74/72/47/172747247.db2.gz JYUUIYJLGHWDQE-HNNXBMFYSA-N 2 2 230.355 2.358 10 0 BEAELP C[NH2+]C(C)(C)C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000061319750 173319555 /nfs/dbraw/zinc/31/95/55/173319555.db2.gz KXWAYMHUBREZGN-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C(C)(C)C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000061319750 173319557 /nfs/dbraw/zinc/31/95/57/173319557.db2.gz KXWAYMHUBREZGN-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC000054601843 173323882 /nfs/dbraw/zinc/32/38/82/173323882.db2.gz MLKPSLKUGMRXKL-GOOCMWNKSA-N 2 2 245.370 2.187 10 0 BEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC000054601843 173323884 /nfs/dbraw/zinc/32/38/84/173323884.db2.gz MLKPSLKUGMRXKL-GOOCMWNKSA-N 2 2 245.370 2.187 10 0 BEAELP C[NH2+]C1CC[NH+]([C@H](C)c2ccc(C)o2)CC1 ZINC000049216721 173324592 /nfs/dbraw/zinc/32/45/92/173324592.db2.gz YXVQILHLVUMFTF-LLVKDONJSA-N 2 2 222.332 2.333 10 0 BEAELP C[NH2+]CC(C)(C)C[NH+]1Cc2ccccc2C1 ZINC000051249412 173336262 /nfs/dbraw/zinc/33/62/62/173336262.db2.gz VGNJPSWBUIVVIY-UHFFFAOYSA-N 2 2 218.344 2.248 10 0 BEAELP C[NH2+]CC[N@H+](C)CCc1c(C)cc(C)cc1C ZINC000077370029 173352955 /nfs/dbraw/zinc/35/29/55/173352955.db2.gz VRZLHAQWOOTHBY-UHFFFAOYSA-N 2 2 234.387 2.306 10 0 BEAELP C[NH2+]CC[N@@H+](C)CCc1c(C)cc(C)cc1C ZINC000077370029 173352956 /nfs/dbraw/zinc/35/29/56/173352956.db2.gz VRZLHAQWOOTHBY-UHFFFAOYSA-N 2 2 234.387 2.306 10 0 BEAELP C[NH2+]C[C@@H](C)n1cc[nH+]c1-c1ccccc1 ZINC000053539890 173364910 /nfs/dbraw/zinc/36/49/10/173364910.db2.gz SZRVGXGCBKIVAT-LLVKDONJSA-N 2 2 215.300 2.331 10 0 BEAELP C[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517390 173376303 /nfs/dbraw/zinc/37/63/03/173376303.db2.gz HSGDXEFLJURHHE-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP C[NH2+]C[C@H](C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517390 173376305 /nfs/dbraw/zinc/37/63/05/173376305.db2.gz HSGDXEFLJURHHE-WCQYABFASA-N 2 2 210.365 2.249 10 0 BEAELP COC1CC[NH+]([C@@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000037265848 174029830 /nfs/dbraw/zinc/02/98/30/174029830.db2.gz QJKZDHKSRXKUEO-HNNXBMFYSA-N 2 2 248.370 2.106 10 0 BEAELP COC1CC[NH+]([C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000037266218 174031003 /nfs/dbraw/zinc/03/10/03/174031003.db2.gz DATWMZZAIDNYMS-KGLIPLIRSA-N 2 2 240.391 2.147 10 0 BEAELP COC1CC[NH+]([C@@]2(C[NH3+])CCCC[C@H]2C)CC1 ZINC000037265951 174031205 /nfs/dbraw/zinc/03/12/05/174031205.db2.gz XJSYQIDRUAJWIR-TZMCWYRMSA-N 2 2 240.391 2.005 10 0 BEAELP COCC[N@H+]([C@@H](c1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000042902222 174285607 /nfs/dbraw/zinc/28/56/07/174285607.db2.gz BSEQKBFUDFFABR-SWLSCSKDSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@@H+]([C@@H](c1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000042902222 174285608 /nfs/dbraw/zinc/28/56/08/174285608.db2.gz BSEQKBFUDFFABR-SWLSCSKDSA-N 2 2 248.370 2.186 10 0 BEAELP COCC[N@H+](CC[NH2+]C(C)(C)C)[C@H](C)C1CC1 ZINC000044415412 174292198 /nfs/dbraw/zinc/29/21/98/174292198.db2.gz ZWSBGPPVUUKOFF-GFCCVEGCSA-N 2 2 242.407 2.121 10 0 BEAELP COCC[N@@H+](CC[NH2+]C(C)(C)C)[C@H](C)C1CC1 ZINC000044415412 174292199 /nfs/dbraw/zinc/29/21/99/174292199.db2.gz ZWSBGPPVUUKOFF-GFCCVEGCSA-N 2 2 242.407 2.121 10 0 BEAELP COc1ccc(-c2[nH+]c(C[C@@H](C)[NH3+])[nH]c2C)cc1 ZINC000037608970 175029221 /nfs/dbraw/zinc/02/92/21/175029221.db2.gz PUZXKODIUFQWND-SECBINFHSA-N 2 2 245.326 2.283 10 0 BEAELP COc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CC2CC2)cc1 ZINC000042961355 175193791 /nfs/dbraw/zinc/19/37/91/175193791.db2.gz VGMHVIJEUPNUDS-ABAIWWIYSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CC2)cc1 ZINC000042961355 175193794 /nfs/dbraw/zinc/19/37/94/175193794.db2.gz VGMHVIJEUPNUDS-ABAIWWIYSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccc2c(c1)CC[C@@H](n1cc[nH+]c1)[C@@H]2[NH3+] ZINC000019264108 175209555 /nfs/dbraw/zinc/20/95/55/175209555.db2.gz ZXNARMDEXQMJAQ-ZIAGYGMSSA-N 2 2 243.310 2.079 10 0 BEAELP COc1ccc2c(c1)[nH+]c(CC[NH3+])n2C(C)C ZINC000074297555 175218459 /nfs/dbraw/zinc/21/84/59/175218459.db2.gz QJNSURHMDMGILI-UHFFFAOYSA-N 2 2 233.315 2.127 10 0 BEAELP COc1ccc2c(c1)[nH+]c(CC[NH2+]C(C)C)n2C ZINC000074298036 175218631 /nfs/dbraw/zinc/21/86/31/175218631.db2.gz KQGSLYIHGUPSPE-UHFFFAOYSA-N 2 2 247.342 2.122 10 0 BEAELP COc1cccc([C@@H](C[NH3+])[N@H+](C)CC2CC2)c1 ZINC000020225830 175288011 /nfs/dbraw/zinc/28/80/11/175288011.db2.gz ZUQNKRMCAAIEIO-CQSZACIVSA-N 2 2 234.343 2.037 10 0 BEAELP COc1cccc([C@@H](C[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000020225830 175288012 /nfs/dbraw/zinc/28/80/12/175288012.db2.gz ZUQNKRMCAAIEIO-CQSZACIVSA-N 2 2 234.343 2.037 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@@H+]2CC[C@H](C)C2)c1 ZINC000040717495 175294024 /nfs/dbraw/zinc/29/40/24/175294024.db2.gz ZOELWTMJKQLPRC-FZMZJTMJSA-N 2 2 234.343 2.037 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@H+]2CC[C@H](C)C2)c1 ZINC000040717495 175294025 /nfs/dbraw/zinc/29/40/25/175294025.db2.gz ZOELWTMJKQLPRC-FZMZJTMJSA-N 2 2 234.343 2.037 10 0 BEAELP COc1cccc([C@H]([C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000043025404 175295885 /nfs/dbraw/zinc/29/58/85/175295885.db2.gz NUYDEGMHCVTPIO-FZMZJTMJSA-N 2 2 234.343 2.179 10 0 BEAELP COc1cccc([C@H]([C@H](C)[NH3+])[N@H+](C)C2CC2)c1 ZINC000043026198 175296093 /nfs/dbraw/zinc/29/60/93/175296093.db2.gz NXTLNWWUAFRGCE-HZMBPMFUSA-N 2 2 234.343 2.178 10 0 BEAELP COc1cccc([C@H]([C@H](C)[NH3+])[N@@H+](C)C2CC2)c1 ZINC000043026198 175296094 /nfs/dbraw/zinc/29/60/94/175296094.db2.gz NXTLNWWUAFRGCE-HZMBPMFUSA-N 2 2 234.343 2.178 10 0 BEAELP COc1ccccc1C[C@@](C)(C[NH3+])[N@H+](C)C1CC1 ZINC000037734898 175332408 /nfs/dbraw/zinc/33/24/08/175332408.db2.gz MDEBHFMKLOXHCC-HNNXBMFYSA-N 2 2 248.370 2.049 10 0 BEAELP COc1ccccc1C[C@@](C)(C[NH3+])[N@@H+](C)C1CC1 ZINC000037734898 175332410 /nfs/dbraw/zinc/33/24/10/175332410.db2.gz MDEBHFMKLOXHCC-HNNXBMFYSA-N 2 2 248.370 2.049 10 0 BEAELP COc1ccccc1[C@@H](C[NH3+])[N@H+](C)CC(C)C ZINC000020225778 175345788 /nfs/dbraw/zinc/34/57/88/175345788.db2.gz VLNQZHKYQWABKS-CYBMUJFWSA-N 2 2 236.359 2.283 10 0 BEAELP COc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CC(C)C ZINC000020225778 175345789 /nfs/dbraw/zinc/34/57/89/175345789.db2.gz VLNQZHKYQWABKS-CYBMUJFWSA-N 2 2 236.359 2.283 10 0 BEAELP COc1ccccc1[C@H]([C@H](C)[NH3+])[NH+]1CCCC1 ZINC000043096596 175354299 /nfs/dbraw/zinc/35/42/99/175354299.db2.gz NDMSVXBADPAGEN-FZMZJTMJSA-N 2 2 234.343 2.179 10 0 BEAELP C[C@@H]([C@@H]([NH3+])c1ccccc1)n1cc[nH+]c1 ZINC000023070820 176011652 /nfs/dbraw/zinc/01/16/52/176011652.db2.gz DCHONAQTARXODU-CMPLNLGQSA-N 2 2 201.273 2.144 10 0 BEAELP C[C@@H](c1cccs1)[N@@H+]1CCC[NH2+]CC1 ZINC000022108902 176034030 /nfs/dbraw/zinc/03/40/30/176034030.db2.gz VBBCBPZPSYXWIH-JTQLQIEISA-N 2 2 210.346 2.104 10 0 BEAELP C[C@@H](c1cccs1)[N@H+]1CCC[NH2+]CC1 ZINC000022108902 176034032 /nfs/dbraw/zinc/03/40/32/176034032.db2.gz VBBCBPZPSYXWIH-JTQLQIEISA-N 2 2 210.346 2.104 10 0 BEAELP C[C@@H]1CC[N@H+](Cc2cccc(F)c2)CC[NH2+]1 ZINC000049661835 176176330 /nfs/dbraw/zinc/17/63/30/176176330.db2.gz QGQCWLYOFSCTDO-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)CC[NH2+]1 ZINC000049661835 176176332 /nfs/dbraw/zinc/17/63/32/176176332.db2.gz QGQCWLYOFSCTDO-LLVKDONJSA-N 2 2 222.307 2.010 10 0 BEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000358091779 176278050 /nfs/dbraw/zinc/27/80/50/176278050.db2.gz VWIROWHZCDCPTK-KWCYVHTRSA-N 2 2 246.354 2.050 10 0 BEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000358091779 176278052 /nfs/dbraw/zinc/27/80/52/176278052.db2.gz VWIROWHZCDCPTK-KWCYVHTRSA-N 2 2 246.354 2.050 10 0 BEAELP C[C@@H]1C[C@@H](C)C[NH+](C2(C[NH3+])CCSCC2)C1 ZINC000042334934 176360546 /nfs/dbraw/zinc/36/05/46/176360546.db2.gz KKYQCKGOMAFVQP-VXGBXAGGSA-N 2 2 242.432 2.189 10 0 BEAELP C[C@@H]1C[C@@H](C)C[NH+](CC2([NH3+])CCCC2)C1 ZINC000037479584 176361180 /nfs/dbraw/zinc/36/11/80/176361180.db2.gz XQWRZUVXVDLOOQ-VXGBXAGGSA-N 2 2 210.365 2.236 10 0 BEAELP C[C@H](c1cccc(N)c1)[N@H+](C)C1CC[NH+](C)CC1 ZINC000042288342 177036648 /nfs/dbraw/zinc/03/66/48/177036648.db2.gz WYKXXSIISAFAIZ-GFCCVEGCSA-N 2 2 247.386 2.356 10 0 BEAELP C[C@H](c1cccc(N)c1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000042288342 177036649 /nfs/dbraw/zinc/03/66/49/177036649.db2.gz WYKXXSIISAFAIZ-GFCCVEGCSA-N 2 2 247.386 2.356 10 0 BEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000095829959 177040172 /nfs/dbraw/zinc/04/01/72/177040172.db2.gz BYDOZJQQICNGSG-BNOWGMLFSA-N 2 2 216.328 2.041 10 0 BEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000095829959 177040174 /nfs/dbraw/zinc/04/01/74/177040174.db2.gz BYDOZJQQICNGSG-BNOWGMLFSA-N 2 2 216.328 2.041 10 0 BEAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@H+](C)Cc1ccccn1 ZINC000036777250 177090241 /nfs/dbraw/zinc/09/02/41/177090241.db2.gz LCWDEMFVTRXTJG-DZGCQCFKSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)Cc1ccccn1 ZINC000036777250 177090243 /nfs/dbraw/zinc/09/02/43/177090243.db2.gz LCWDEMFVTRXTJG-DZGCQCFKSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccsc2)C1 ZINC000022170224 177103404 /nfs/dbraw/zinc/10/34/04/177103404.db2.gz WMISBQCFSAKGPZ-JQWIXIFHSA-N 2 2 224.373 2.480 10 0 BEAELP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccsc2)C1 ZINC000022170224 177103405 /nfs/dbraw/zinc/10/34/05/177103405.db2.gz WMISBQCFSAKGPZ-JQWIXIFHSA-N 2 2 224.373 2.480 10 0 BEAELP C[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1cccs1 ZINC000037910260 177111971 /nfs/dbraw/zinc/11/19/71/177111971.db2.gz XROIELXLESQYES-UWVGGRQHSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1cccs1 ZINC000037910260 177111972 /nfs/dbraw/zinc/11/19/72/177111972.db2.gz XROIELXLESQYES-UWVGGRQHSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2cccnc2)C1 ZINC000036771018 177127346 /nfs/dbraw/zinc/12/73/46/177127346.db2.gz HLWLDTCGRVYMLR-DZGCQCFKSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2cccnc2)C1 ZINC000036771018 177127348 /nfs/dbraw/zinc/12/73/48/177127348.db2.gz HLWLDTCGRVYMLR-DZGCQCFKSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1C[C@@H](C)CC[N@H+]1C1(C[NH3+])CCSCC1 ZINC000051730375 177156788 /nfs/dbraw/zinc/15/67/88/177156788.db2.gz WYDSVEPVRYIWOO-NWDGAFQWSA-N 2 2 242.432 2.331 10 0 BEAELP C[C@@H]1C[C@@H](C)CC[N@@H+]1C1(C[NH3+])CCSCC1 ZINC000051730375 177156790 /nfs/dbraw/zinc/15/67/90/177156790.db2.gz WYDSVEPVRYIWOO-NWDGAFQWSA-N 2 2 242.432 2.331 10 0 BEAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2cccs2)C1 ZINC000042278834 177170153 /nfs/dbraw/zinc/17/01/53/177170153.db2.gz YZGBRMQWPMUJNZ-UWVGGRQHSA-N 2 2 210.346 2.090 10 0 BEAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2cccs2)C1 ZINC000042278834 177170154 /nfs/dbraw/zinc/17/01/54/177170154.db2.gz YZGBRMQWPMUJNZ-UWVGGRQHSA-N 2 2 210.346 2.090 10 0 BEAELP C[C@H]1CC[NH2+]CC[N@@H+]1C1CCCCCC1 ZINC000071512335 177174390 /nfs/dbraw/zinc/17/43/90/177174390.db2.gz BHFSJZKYLQOXKZ-LBPRGKRZSA-N 2 2 210.365 2.393 10 0 BEAELP C[C@H]1CC[NH2+]CC[N@H+]1C1CCCCCC1 ZINC000071512335 177174392 /nfs/dbraw/zinc/17/43/92/177174392.db2.gz BHFSJZKYLQOXKZ-LBPRGKRZSA-N 2 2 210.365 2.393 10 0 BEAELP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCCC[C@H]2C)C[C@H](C)O1 ZINC000034754805 177275984 /nfs/dbraw/zinc/27/59/84/177275984.db2.gz YYTZQACFASOKKM-MQYQWHSLSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCCC[C@H]2C)C[C@H](C)O1 ZINC000034754805 177275986 /nfs/dbraw/zinc/27/59/86/177275986.db2.gz YYTZQACFASOKKM-MQYQWHSLSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[NH2+]CC2)o1 ZINC000038086889 177351394 /nfs/dbraw/zinc/35/13/94/177351394.db2.gz OUSACHXSARDGPX-AAEUAGOBSA-N 2 2 234.343 2.198 10 0 BEAELP C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[NH2+]CC2)o1 ZINC000038086889 177351397 /nfs/dbraw/zinc/35/13/97/177351397.db2.gz OUSACHXSARDGPX-AAEUAGOBSA-N 2 2 234.343 2.198 10 0 BEAELP C[NH2+][C@@]1(C)CCC[N@H+](Cc2ccccc2)C1 ZINC000076647053 487838518 /nfs/dbraw/zinc/83/85/18/487838518.db2.gz BNJRIWMGWFXOQI-AWEZNQCLSA-N 2 2 218.344 2.261 10 0 BEAELP C[NH2+][C@@]1(C)CCC[N@@H+](Cc2ccccc2)C1 ZINC000076647053 487838522 /nfs/dbraw/zinc/83/85/22/487838522.db2.gz BNJRIWMGWFXOQI-AWEZNQCLSA-N 2 2 218.344 2.261 10 0 BEAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccco1 ZINC000396731737 323657030 /nfs/dbraw/zinc/65/70/30/323657030.db2.gz YZFHNUFLWYDRBQ-OUAUKWLOSA-N 2 2 208.305 2.071 10 0 BEAELP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000129296644 490058821 /nfs/dbraw/zinc/05/88/21/490058821.db2.gz NALQMLJHVRARCP-UKRRQHHQSA-N 2 2 248.345 2.497 10 0 BEAELP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000129296644 490058824 /nfs/dbraw/zinc/05/88/24/490058824.db2.gz NALQMLJHVRARCP-UKRRQHHQSA-N 2 2 248.345 2.497 10 0 BEAELP C[NH2+][C@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538321 536413094 /nfs/dbraw/zinc/41/30/94/536413094.db2.gz ZQYWUYRWQXWURQ-RYUDHWBXSA-N 2 2 246.345 2.496 10 0 BEAELP C[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538321 536413097 /nfs/dbraw/zinc/41/30/97/536413097.db2.gz ZQYWUYRWQXWURQ-RYUDHWBXSA-N 2 2 246.345 2.496 10 0 BEAELP C[NH+](C)CCCNc1ccc2c(c1)CC[N@H+]2C ZINC000757131019 582505747 /nfs/dbraw/zinc/50/57/47/582505747.db2.gz OXTPMUUZJASQRL-UHFFFAOYSA-N 2 2 233.359 2.043 10 0 BEAELP C[NH+](C)CCCNc1ccc2c(c1)CC[N@@H+]2C ZINC000757131019 582505748 /nfs/dbraw/zinc/50/57/48/582505748.db2.gz OXTPMUUZJASQRL-UHFFFAOYSA-N 2 2 233.359 2.043 10 0 BEAELP C[C@@H]1CC[C@H]([NH3+])[C@@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757212985 582560603 /nfs/dbraw/zinc/56/06/03/582560603.db2.gz KPHPZTYJGWHIOV-LJWDBELGSA-N 2 2 229.327 2.308 10 0 BEAELP C[C@H]1C[C@]2(CC[N@@H+]1C)[NH2+]CCc1sccc12 ZINC000397268316 583099481 /nfs/dbraw/zinc/09/94/81/583099481.db2.gz CFHKSBXMPGRABL-GWCFXTLKSA-N 2 2 236.384 2.203 10 0 BEAELP C[C@H]1C[C@]2(CC[N@H+]1C)[NH2+]CCc1sccc12 ZINC000397268316 583099482 /nfs/dbraw/zinc/09/94/82/583099482.db2.gz CFHKSBXMPGRABL-GWCFXTLKSA-N 2 2 236.384 2.203 10 0 BEAELP CC[C@@H](C)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757127663 586426575 /nfs/dbraw/zinc/42/65/75/586426575.db2.gz HTGBPBRGLLGVKY-TZMCWYRMSA-N 2 2 222.376 2.345 10 0 BEAELP CC[C@@H](C)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757127663 586426577 /nfs/dbraw/zinc/42/65/77/586426577.db2.gz HTGBPBRGLLGVKY-TZMCWYRMSA-N 2 2 222.376 2.345 10 0 BEAELP CC1(c2ccc([C@@H]3[NH2+]CCC[C@H]3[NH3+])cc2)CC1 ZINC000757208383 586437979 /nfs/dbraw/zinc/43/79/79/586437979.db2.gz CLSXFGSEKGYGBD-KGLIPLIRSA-N 2 2 230.355 2.490 10 0 BEAELP C[C@@H]1CC[C@H]([NH3+])[C@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757212989 586439578 /nfs/dbraw/zinc/43/95/78/586439578.db2.gz KPHPZTYJGWHIOV-LQJRIPTKSA-N 2 2 229.327 2.308 10 0 BEAELP CC(=O)c1cccc([C@@H]2[NH2+][C@@H](C)CC[C@H]2[NH3+])c1 ZINC000757212295 586439583 /nfs/dbraw/zinc/43/95/83/586439583.db2.gz HXFJYGIDPXQBIF-FZZIBODNSA-N 2 2 232.327 2.030 10 0 BEAELP C[C@H]1C[N@H+](Cc2cncc3ccccc32)C[C@H]1[NH3+] ZINC000300086570 592502675 /nfs/dbraw/zinc/50/26/75/592502675.db2.gz KUDYTMZWJFJCEJ-XHDPSFHLSA-N 2 2 241.338 2.014 10 0 BEAELP C[C@H]1C[N@@H+](Cc2cncc3ccccc32)C[C@H]1[NH3+] ZINC000300086570 592502677 /nfs/dbraw/zinc/50/26/77/592502677.db2.gz KUDYTMZWJFJCEJ-XHDPSFHLSA-N 2 2 241.338 2.014 10 0 BEAELP CCOC1CC([NH2+][C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000124474553 634425596 /nfs/dbraw/zinc/42/55/96/634425596.db2.gz QXYWFSIRGGOZGZ-MOKVOYLWSA-N 2 2 242.407 2.120 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000309921425 633941720 /nfs/dbraw/zinc/94/17/20/633941720.db2.gz SHGVIMVKEZIRAI-DOERSZECSA-N 2 2 222.376 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000309921425 633941724 /nfs/dbraw/zinc/94/17/24/633941724.db2.gz SHGVIMVKEZIRAI-DOERSZECSA-N 2 2 222.376 2.105 10 0 BEAELP C[N@H+](C[C@H]1CCC2(CCCC2)C[NH2+]1)C1CC1 ZINC000669384684 636589706 /nfs/dbraw/zinc/58/97/06/636589706.db2.gz BDUCEYHVRQJCSQ-GFCCVEGCSA-N 2 2 222.376 2.393 10 0 BEAELP C[N@@H+](C[C@H]1CCC2(CCCC2)C[NH2+]1)C1CC1 ZINC000669384684 636589708 /nfs/dbraw/zinc/58/97/08/636589708.db2.gz BDUCEYHVRQJCSQ-GFCCVEGCSA-N 2 2 222.376 2.393 10 0 BEAELP Cc1cc[nH+]cc1NCC1CC[NH+](C)CC1 ZINC000070958515 643088194 /nfs/dbraw/zinc/08/81/94/643088194.db2.gz WVCDEBZHPSBEOY-UHFFFAOYSA-N 2 2 219.332 2.144 10 0 BEAELP CC(C)(C[NH3+])C1CCN(c2cccc[nH+]2)CC1 ZINC000714479795 712491620 /nfs/dbraw/zinc/49/16/20/712491620.db2.gz KOVPEEXVTPPLMT-UHFFFAOYSA-N 2 2 233.359 2.283 10 0 BEAELP Cc1[nH+]c2c(n1Cc1ccc(N)[nH+]c1)CCCC2 ZINC000216932400 971694155 /nfs/dbraw/zinc/69/41/55/971694155.db2.gz PKJIDQIDHYYODY-UHFFFAOYSA-N 2 2 242.326 2.096 10 0 BEAELP CCC[C@H](CC)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336664811 398178291 /nfs/dbraw/zinc/17/82/91/398178291.db2.gz CXQIQQZYRSKIPW-RWMBFGLXSA-N 2 2 212.381 2.495 10 0 BEAELP CCC[C@H](CC)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336664811 398178295 /nfs/dbraw/zinc/17/82/95/398178295.db2.gz CXQIQQZYRSKIPW-RWMBFGLXSA-N 2 2 212.381 2.495 10 0 BEAELP Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[N@H+](C)C1 ZINC000061985059 178095507 /nfs/dbraw/zinc/09/55/07/178095507.db2.gz XYVMZEUJMLIHIM-GFCCVEGCSA-N 2 2 233.359 2.177 10 0 BEAELP Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[N@@H+](C)C1 ZINC000061985059 178095508 /nfs/dbraw/zinc/09/55/08/178095508.db2.gz XYVMZEUJMLIHIM-GFCCVEGCSA-N 2 2 233.359 2.177 10 0 BEAELP Cc1cc([NH3+])ccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061642879 178105930 /nfs/dbraw/zinc/10/59/30/178105930.db2.gz KWLABVVLSHXNDI-CYBMUJFWSA-N 2 2 233.359 2.108 10 0 BEAELP Cc1cc(N[C@@H](CC(C)C)C[NH+](C)C)nc[nH+]1 ZINC000049558089 178180781 /nfs/dbraw/zinc/18/07/81/178180781.db2.gz BUSSFNKICQRATO-LBPRGKRZSA-N 2 2 236.363 2.173 10 0 BEAELP Cc1cc(OCCC[NH3+])c2ccccc2[nH+]1 ZINC000051870479 178210926 /nfs/dbraw/zinc/21/09/26/178210926.db2.gz IRCQDICUPVPBAV-UHFFFAOYSA-N 2 2 216.284 2.271 10 0 BEAELP CCC(CC)C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336756194 168364521 /nfs/dbraw/zinc/36/45/21/168364521.db2.gz IPMVIYZOEHFVLJ-YPMHNXCESA-N 2 2 212.381 2.352 10 0 BEAELP CCC(CC)C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336756194 168364524 /nfs/dbraw/zinc/36/45/24/168364524.db2.gz IPMVIYZOEHFVLJ-YPMHNXCESA-N 2 2 212.381 2.352 10 0 BEAELP Cc1cc2[nH+]cn(CC[C@@H](C)[NH3+])c2cc1C ZINC000020429238 178306206 /nfs/dbraw/zinc/30/62/06/178306206.db2.gz LJQPHWVKLPRSED-LLVKDONJSA-N 2 2 217.316 2.390 10 0 BEAELP Cc1cc2[nH+]cn(C[C@H](C)C[NH3+])c2cc1C ZINC000036986872 178306299 /nfs/dbraw/zinc/30/62/99/178306299.db2.gz AKGNERBZULYMIR-SECBINFHSA-N 2 2 217.316 2.248 10 0 BEAELP C[C@@H](c1ccccc1)[N@@H+]1C[C@H]([NH3+])C2(CC2)C1 ZINC000145314803 342760840 /nfs/dbraw/zinc/76/08/40/342760840.db2.gz LQXLEBQQOBROTO-AAEUAGOBSA-N 2 2 216.328 2.171 10 0 BEAELP C[C@@H](c1ccccc1)[N@H+]1C[C@H]([NH3+])C2(CC2)C1 ZINC000145314803 342760841 /nfs/dbraw/zinc/76/08/41/342760841.db2.gz LQXLEBQQOBROTO-AAEUAGOBSA-N 2 2 216.328 2.171 10 0 BEAELP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672721 538972797 /nfs/dbraw/zinc/97/27/97/538972797.db2.gz FJTHYLCPZMNSTN-QWHCGFSZSA-N 2 2 236.359 2.285 10 0 BEAELP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672721 538972798 /nfs/dbraw/zinc/97/27/98/538972798.db2.gz FJTHYLCPZMNSTN-QWHCGFSZSA-N 2 2 236.359 2.285 10 0 BEAELP c1[nH+]cn(Cc2ccccc2)c1[C@H]1CC[NH2+]C1 ZINC000097007769 344004344 /nfs/dbraw/zinc/00/43/44/344004344.db2.gz ISVSTQJKBUZXQT-ZDUSSCGKSA-N 2 2 227.311 2.008 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000380010962 538983826 /nfs/dbraw/zinc/98/38/26/538983826.db2.gz RNXLISUALQCPFM-QNWHQSFQSA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000380010962 538983827 /nfs/dbraw/zinc/98/38/27/538983827.db2.gz RNXLISUALQCPFM-QNWHQSFQSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000390549773 539026038 /nfs/dbraw/zinc/02/60/38/539026038.db2.gz OHJQRNJWXOMJKC-WUHRBBMRSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000390549773 539026039 /nfs/dbraw/zinc/02/60/39/539026039.db2.gz OHJQRNJWXOMJKC-WUHRBBMRSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000390549771 539026121 /nfs/dbraw/zinc/02/61/21/539026121.db2.gz OHJQRNJWXOMJKC-QNWHQSFQSA-N 2 2 224.392 2.351 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000390549771 539026122 /nfs/dbraw/zinc/02/61/22/539026122.db2.gz OHJQRNJWXOMJKC-QNWHQSFQSA-N 2 2 224.392 2.351 10 0 BEAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218127731 398325666 /nfs/dbraw/zinc/32/56/66/398325666.db2.gz YNUFPCZSFAROKF-CQSZACIVSA-N 2 2 243.354 2.352 10 0 BEAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218127731 398325667 /nfs/dbraw/zinc/32/56/67/398325667.db2.gz YNUFPCZSFAROKF-CQSZACIVSA-N 2 2 243.354 2.352 10 0 BEAELP [NH3+][C@H](CC[NH+]1CCCC1)c1cccs1 ZINC000020274140 342979617 /nfs/dbraw/zinc/97/96/17/342979617.db2.gz PAHGGBYURHMNDK-SNVBAGLBSA-N 2 2 210.346 2.234 10 0 BEAELP C(=C/c1ccccc1)\C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946236 343013288 /nfs/dbraw/zinc/01/32/88/343013288.db2.gz CBAPNVJPHMIILS-QPJJXVBHSA-N 2 2 227.311 2.255 10 0 BEAELP C(=C/c1ccccc1)\C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946236 343013290 /nfs/dbraw/zinc/01/32/90/343013290.db2.gz CBAPNVJPHMIILS-QPJJXVBHSA-N 2 2 227.311 2.255 10 0 BEAELP Clc1ccccc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946316 343013326 /nfs/dbraw/zinc/01/33/26/343013326.db2.gz TVPMQQPJNUPHOM-UHFFFAOYSA-N 2 2 235.718 2.395 10 0 BEAELP Clc1ccccc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946316 343013327 /nfs/dbraw/zinc/01/33/27/343013327.db2.gz TVPMQQPJNUPHOM-UHFFFAOYSA-N 2 2 235.718 2.395 10 0 BEAELP Cc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000045946196 343013457 /nfs/dbraw/zinc/01/34/57/343013457.db2.gz XFRNMNNSBRQOSN-UHFFFAOYSA-N 2 2 215.300 2.050 10 0 BEAELP Cc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000045946196 343013459 /nfs/dbraw/zinc/01/34/59/343013459.db2.gz XFRNMNNSBRQOSN-UHFFFAOYSA-N 2 2 215.300 2.050 10 0 BEAELP Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)c(C)[nH+]1 ZINC000094665987 343156561 /nfs/dbraw/zinc/15/65/61/343156561.db2.gz PMAWKBABWYAIQW-GFCCVEGCSA-N 2 2 247.342 2.027 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000309486824 343603692 /nfs/dbraw/zinc/60/36/92/343603692.db2.gz VRERNZUKHKXKNA-OLZOCXBDSA-N 2 2 222.376 2.393 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000309486824 343603695 /nfs/dbraw/zinc/60/36/95/343603695.db2.gz VRERNZUKHKXKNA-OLZOCXBDSA-N 2 2 222.376 2.393 10 0 BEAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000083389801 344175543 /nfs/dbraw/zinc/17/55/43/344175543.db2.gz SSHNDDOPBFBFMU-RWMBFGLXSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000083389801 344175545 /nfs/dbraw/zinc/17/55/45/344175545.db2.gz SSHNDDOPBFBFMU-RWMBFGLXSA-N 2 2 210.365 2.249 10 0 BEAELP CCC[C@@]1([NH2+]Cc2ccccc2)CC[NH2+]C1 ZINC000306926295 344517993 /nfs/dbraw/zinc/51/79/93/344517993.db2.gz PROGGNBRWVTRPZ-CQSZACIVSA-N 2 2 218.344 2.308 10 0 BEAELP C[C@H]([NH2+][C@H]1CCCC[C@H]1[NH3+])c1nccs1 ZINC000248081824 345035436 /nfs/dbraw/zinc/03/54/36/345035436.db2.gz QFBAZHKNXKPXAC-AEJSXWLSSA-N 2 2 225.361 2.064 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000044469091 345084945 /nfs/dbraw/zinc/08/49/45/345084945.db2.gz AHOCQBHKYVGQMC-OAHLLOKOSA-N 2 2 242.322 2.224 10 0 BEAELP C[C@H](c1ccco1)[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000251234158 345490151 /nfs/dbraw/zinc/49/01/51/345490151.db2.gz CQYOUXHDTANJDL-MNOVXSKESA-N 2 2 208.305 2.154 10 0 BEAELP C[C@H](c1ccco1)[N@H+]1CCCC[C@H]1C[NH3+] ZINC000251234158 345490154 /nfs/dbraw/zinc/49/01/54/345490154.db2.gz CQYOUXHDTANJDL-MNOVXSKESA-N 2 2 208.305 2.154 10 0 BEAELP C[C@@H]1CCCn2cc([C@H]3CCC[NH2+]C3)[nH+]c21 ZINC000258432879 345783505 /nfs/dbraw/zinc/78/35/05/345783505.db2.gz OUYMBPRSKZKHEJ-MNOVXSKESA-N 2 2 219.332 2.247 10 0 BEAELP C[C@H]1CCCn2cc([C@@H]3CCC[NH2+]C3)[nH+]c21 ZINC000258432888 345783583 /nfs/dbraw/zinc/78/35/83/345783583.db2.gz OUYMBPRSKZKHEJ-WDEREUQCSA-N 2 2 219.332 2.247 10 0 BEAELP CC[N@H+](C)Cc1csc(C[NH2+]CC2CC2)n1 ZINC000669379873 537982099 /nfs/dbraw/zinc/98/20/99/537982099.db2.gz LCFYHDKLJZTVCL-UHFFFAOYSA-N 2 2 239.388 2.094 10 0 BEAELP CC[N@@H+](C)Cc1csc(C[NH2+]CC2CC2)n1 ZINC000669379873 537982107 /nfs/dbraw/zinc/98/21/07/537982107.db2.gz LCFYHDKLJZTVCL-UHFFFAOYSA-N 2 2 239.388 2.094 10 0 BEAELP CCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000250040126 362768617 /nfs/dbraw/zinc/76/86/17/362768617.db2.gz UJVFXUJJPZMMKH-GHMZBOCLSA-N 2 2 210.346 2.232 10 0 BEAELP CCC[N@H+]1CC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000250040126 362768622 /nfs/dbraw/zinc/76/86/22/362768622.db2.gz UJVFXUJJPZMMKH-GHMZBOCLSA-N 2 2 210.346 2.232 10 0 BEAELP Cc1cccc(N[C@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000049184147 179156734 /nfs/dbraw/zinc/15/67/34/179156734.db2.gz PKNUMGQHRYBKPD-GFCCVEGCSA-N 2 2 219.332 2.286 10 0 BEAELP Cc1cccc(OCC[N@@H+]2CCC[NH2+][C@@H](C)C2)c1 ZINC000062623414 179166293 /nfs/dbraw/zinc/16/62/93/179166293.db2.gz PWCRVDHFSLXNSM-AWEZNQCLSA-N 2 2 248.370 2.058 10 0 BEAELP Cc1cccc(OCC[N@H+]2CCC[NH2+][C@@H](C)C2)c1 ZINC000062623414 179166295 /nfs/dbraw/zinc/16/62/95/179166295.db2.gz PWCRVDHFSLXNSM-AWEZNQCLSA-N 2 2 248.370 2.058 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+]2CCCOCC2)c1C ZINC000061916510 179185392 /nfs/dbraw/zinc/18/53/92/179185392.db2.gz LMKHIEKTPZNMGQ-OAHLLOKOSA-N 2 2 248.370 2.026 10 0 BEAELP Cc1cccc([C@@H](C[NH3+])[N@H+]2CCCOCC2)c1C ZINC000061916510 179185395 /nfs/dbraw/zinc/18/53/95/179185395.db2.gz LMKHIEKTPZNMGQ-OAHLLOKOSA-N 2 2 248.370 2.026 10 0 BEAELP Cc1cccc([C@@H]([C@H](C)[NH3+])n2cc[nH+]c2)c1 ZINC000042967745 179188374 /nfs/dbraw/zinc/18/83/74/179188374.db2.gz NBIAEIWHRBCQGN-WCQYABFASA-N 2 2 215.300 2.128 10 0 BEAELP Cc1ccccc1C[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC000043501442 179269893 /nfs/dbraw/zinc/26/98/93/179269893.db2.gz MMYQYLDEEQGSMC-AWEZNQCLSA-N 2 2 218.344 2.179 10 0 BEAELP Cc1ccccc1C[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC000043501442 179269895 /nfs/dbraw/zinc/26/98/95/179269895.db2.gz MMYQYLDEEQGSMC-AWEZNQCLSA-N 2 2 218.344 2.179 10 0 BEAELP Cc1ccccc1[C@@H]([NH3+])CC[N@@H+]1CCO[C@H](C)C1 ZINC000054015962 179325033 /nfs/dbraw/zinc/32/50/33/179325033.db2.gz XNOANVPANAZRBG-HIFRSBDPSA-N 2 2 248.370 2.106 10 0 BEAELP Cc1ccccc1[C@@H]([NH3+])CC[N@H+]1CCO[C@H](C)C1 ZINC000054015962 179325035 /nfs/dbraw/zinc/32/50/35/179325035.db2.gz XNOANVPANAZRBG-HIFRSBDPSA-N 2 2 248.370 2.106 10 0 BEAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000043034385 179346532 /nfs/dbraw/zinc/34/65/32/179346532.db2.gz LNZZAWSMPRXVOB-RISCZKNCSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000043034385 179346533 /nfs/dbraw/zinc/34/65/33/179346533.db2.gz LNZZAWSMPRXVOB-RISCZKNCSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000043034392 179347054 /nfs/dbraw/zinc/34/70/54/179347054.db2.gz LNZZAWSMPRXVOB-FZMZJTMJSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000043034392 179347056 /nfs/dbraw/zinc/34/70/56/179347056.db2.gz LNZZAWSMPRXVOB-FZMZJTMJSA-N 2 2 218.344 2.478 10 0 BEAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])n1cc[nH+]c1 ZINC000043037707 179347229 /nfs/dbraw/zinc/34/72/29/179347229.db2.gz WLXXXZSCKYTLDN-YPMHNXCESA-N 2 2 215.300 2.128 10 0 BEAELP Cc1cccn2c([C@@H]([NH3+])C(C)C)c[nH+]c12 ZINC000031911692 179355319 /nfs/dbraw/zinc/35/53/19/179355319.db2.gz PMNOQLMMKRZMKN-NSHDSACASA-N 2 2 203.289 2.299 10 0 BEAELP Cc1ccc[nH+]c1N[C@H](C)C[NH+]1CCCC1 ZINC000051041090 179395492 /nfs/dbraw/zinc/39/54/92/179395492.db2.gz BPKBBEIUWZJQQE-GFCCVEGCSA-N 2 2 219.332 2.286 10 0 BEAELP Cc1ccc[nH+]c1N[C@H](C)Cn1cc[nH+]c1 ZINC000051041104 179396445 /nfs/dbraw/zinc/39/64/45/179396445.db2.gz QHUJTPDGBNQTEC-LLVKDONJSA-N 2 2 216.288 2.087 10 0 BEAELP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000388620855 349275136 /nfs/dbraw/zinc/27/51/36/349275136.db2.gz HCWNRHXJBMQZQL-FRRDWIJNSA-N 2 2 210.365 2.249 10 0 BEAELP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000388620855 349275139 /nfs/dbraw/zinc/27/51/39/349275139.db2.gz HCWNRHXJBMQZQL-FRRDWIJNSA-N 2 2 210.365 2.249 10 0 BEAELP CCCCc1[nH+]c2c(n1C)[C@@H]([NH3+])CCC2 ZINC000725253361 538037171 /nfs/dbraw/zinc/03/71/71/538037171.db2.gz JRRIXCGXFJTJHW-VIFPVBQESA-N 2 2 207.321 2.099 10 0 BEAELP CC(C)(C)[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000616586768 349406342 /nfs/dbraw/zinc/40/63/42/349406342.db2.gz HZTWEYWLELOQRL-ZDUSSCGKSA-N 2 2 218.344 2.343 10 0 BEAELP CC(C)(C)[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000616586768 349406343 /nfs/dbraw/zinc/40/63/43/349406343.db2.gz HZTWEYWLELOQRL-ZDUSSCGKSA-N 2 2 218.344 2.343 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304513978 350161285 /nfs/dbraw/zinc/16/12/85/350161285.db2.gz DRCGNHXMUPJQKP-REWJHTLYSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304513978 350161290 /nfs/dbraw/zinc/16/12/90/350161290.db2.gz DRCGNHXMUPJQKP-REWJHTLYSA-N 2 2 222.376 2.249 10 0 BEAELP CSCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000133699311 191040952 /nfs/dbraw/zinc/04/09/52/191040952.db2.gz JTQNTIWBTCRLFO-NWDGAFQWSA-N 2 2 242.432 2.344 10 0 BEAELP CSCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000133699311 191040955 /nfs/dbraw/zinc/04/09/55/191040955.db2.gz JTQNTIWBTCRLFO-NWDGAFQWSA-N 2 2 242.432 2.344 10 0 BEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCF ZINC000151438205 180266363 /nfs/dbraw/zinc/26/63/63/180266363.db2.gz HFEQVGXIKGATBZ-LBPRGKRZSA-N 2 2 225.311 2.016 10 0 BEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCF ZINC000151438205 180266366 /nfs/dbraw/zinc/26/63/66/180266366.db2.gz HFEQVGXIKGATBZ-LBPRGKRZSA-N 2 2 225.311 2.016 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](OC)C2)C1 ZINC000300250017 490553479 /nfs/dbraw/zinc/55/34/79/490553479.db2.gz OASFTTQHRYHCSC-RDBSUJKOSA-N 2 2 240.391 2.018 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](OC)C2)C1 ZINC000300250017 490553483 /nfs/dbraw/zinc/55/34/83/490553483.db2.gz OASFTTQHRYHCSC-RDBSUJKOSA-N 2 2 240.391 2.018 10 0 BEAELP CC(C)(C)[N@@H+]1CCO[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616595812 350611712 /nfs/dbraw/zinc/61/17/12/350611712.db2.gz YYZDOOINHZMKBV-LBPRGKRZSA-N 2 2 249.358 2.056 10 0 BEAELP CC(C)(C)[N@H+]1CCO[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616595812 350611714 /nfs/dbraw/zinc/61/17/14/350611714.db2.gz YYZDOOINHZMKBV-LBPRGKRZSA-N 2 2 249.358 2.056 10 0 BEAELP CC(C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)CC1 ZINC000616601302 350782279 /nfs/dbraw/zinc/78/22/79/350782279.db2.gz NPMMRSFVBMPJPL-LLVKDONJSA-N 2 2 207.321 2.388 10 0 BEAELP CC(C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)CC1 ZINC000616601302 350782283 /nfs/dbraw/zinc/78/22/83/350782283.db2.gz NPMMRSFVBMPJPL-LLVKDONJSA-N 2 2 207.321 2.388 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccccc2F)CC1 ZINC000616602168 350791013 /nfs/dbraw/zinc/79/10/13/350791013.db2.gz XZFSPESMXZOBBC-LBPRGKRZSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccccc2F)CC1 ZINC000616602168 350791014 /nfs/dbraw/zinc/79/10/14/350791014.db2.gz XZFSPESMXZOBBC-LBPRGKRZSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2ccccc2F)C1 ZINC000616604984 350794241 /nfs/dbraw/zinc/79/42/41/350794241.db2.gz ISKBUJNVVLBTIG-GFCCVEGCSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2ccccc2F)C1 ZINC000616604984 350794243 /nfs/dbraw/zinc/79/42/43/350794243.db2.gz ISKBUJNVVLBTIG-GFCCVEGCSA-N 2 2 236.334 2.354 10 0 BEAELP CC[N@@H+]1CCC[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616610456 350805563 /nfs/dbraw/zinc/80/55/63/350805563.db2.gz JYQCRPOKRNNWGJ-LLVKDONJSA-N 2 2 219.332 2.084 10 0 BEAELP CC[N@H+]1CCC[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616610456 350805564 /nfs/dbraw/zinc/80/55/64/350805564.db2.gz JYQCRPOKRNNWGJ-LLVKDONJSA-N 2 2 219.332 2.084 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000306750897 350959677 /nfs/dbraw/zinc/95/96/77/350959677.db2.gz JRBZTGXORCABAO-SCSAIBSYSA-N 2 2 211.117 2.013 10 0 BEAELP C[C@H](C[NH2+]C1CC1)[N@H+](C)Cc1ccccc1 ZINC000052417394 350991933 /nfs/dbraw/zinc/99/19/33/350991933.db2.gz YPEMBYBDMNBQNB-GFCCVEGCSA-N 2 2 218.344 2.259 10 0 BEAELP C[C@H](C[NH2+]C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000052417394 350991936 /nfs/dbraw/zinc/99/19/36/350991936.db2.gz YPEMBYBDMNBQNB-GFCCVEGCSA-N 2 2 218.344 2.259 10 0 BEAELP CC[N@@H+]1CCC[C@H](Nc2cccc[nH+]2)CC1 ZINC000616630102 351102022 /nfs/dbraw/zinc/10/20/22/351102022.db2.gz WBUOHZJIUUHVSW-LBPRGKRZSA-N 2 2 219.332 2.368 10 0 BEAELP CC[N@H+]1CCC[C@H](Nc2cccc[nH+]2)CC1 ZINC000616630102 351102025 /nfs/dbraw/zinc/10/20/25/351102025.db2.gz WBUOHZJIUUHVSW-LBPRGKRZSA-N 2 2 219.332 2.368 10 0 BEAELP c1[nH]cc([C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000616635019 351117739 /nfs/dbraw/zinc/11/77/39/351117739.db2.gz ZSENSWPDVVMHCA-ZDUSSCGKSA-N 2 2 227.311 2.399 10 0 BEAELP c1[nH]cc([C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000616635019 351117742 /nfs/dbraw/zinc/11/77/42/351117742.db2.gz ZSENSWPDVVMHCA-ZDUSSCGKSA-N 2 2 227.311 2.399 10 0 BEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccc(F)c2)CC1 ZINC000616628107 351097407 /nfs/dbraw/zinc/09/74/07/351097407.db2.gz MXJJOUGIGPBMJG-GFCCVEGCSA-N 2 2 236.334 2.354 10 0 BEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cccc(F)c2)CC1 ZINC000616628107 351097408 /nfs/dbraw/zinc/09/74/08/351097408.db2.gz MXJJOUGIGPBMJG-GFCCVEGCSA-N 2 2 236.334 2.354 10 0 BEAELP CC(C)(C)[N@@H+]1CCO[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616666325 351225719 /nfs/dbraw/zinc/22/57/19/351225719.db2.gz OHKSCVHKMYMVTA-CYBMUJFWSA-N 2 2 249.358 2.340 10 0 BEAELP CC(C)(C)[N@H+]1CCO[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616666325 351225721 /nfs/dbraw/zinc/22/57/21/351225721.db2.gz OHKSCVHKMYMVTA-CYBMUJFWSA-N 2 2 249.358 2.340 10 0 BEAELP C[NH2+]C1(C)CC[NH+](C/C(C)=C/Cl)CC1 ZINC000232008840 351506108 /nfs/dbraw/zinc/50/61/08/351506108.db2.gz RLFNAUAOSXPKRP-CSKARUKUSA-N 2 2 216.756 2.203 10 0 BEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C(C)C)cc1 ZINC000022219352 188109566 /nfs/dbraw/zinc/10/95/66/188109566.db2.gz MBUWDADBNXIAAV-ZDUSSCGKSA-N 2 2 222.332 2.035 10 0 BEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C(C)C)cc1 ZINC000022219352 188109568 /nfs/dbraw/zinc/10/95/68/188109568.db2.gz MBUWDADBNXIAAV-ZDUSSCGKSA-N 2 2 222.332 2.035 10 0 BEAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCC=CO1 ZINC000050269096 188219478 /nfs/dbraw/zinc/21/94/78/188219478.db2.gz BOEVCUFPFMFZNW-UONOGXRCSA-N 2 2 240.391 2.245 10 0 BEAELP CC(C)C[C@@H](C[NH2+][C@H]1CCCSC1)[NH+](C)C ZINC000061572295 188223048 /nfs/dbraw/zinc/22/30/48/188223048.db2.gz UCQBRAJSNFFMGE-STQMWFEESA-N 2 2 244.448 2.448 10 0 BEAELP Fc1ccccc1CC[NH2+]CCCn1cc[nH+]c1 ZINC000049327707 181011381 /nfs/dbraw/zinc/01/13/81/181011381.db2.gz PSXVABCNAMXJRW-UHFFFAOYSA-N 2 2 247.317 2.245 10 0 BEAELP CC[N@@H+]1CCC[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000040503113 358494010 /nfs/dbraw/zinc/49/40/10/358494010.db2.gz IBRXYYPIEZIMQP-NSHDSACASA-N 2 2 244.342 2.459 10 0 BEAELP CC[N@H+]1CCC[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000040503113 358494014 /nfs/dbraw/zinc/49/40/14/358494014.db2.gz IBRXYYPIEZIMQP-NSHDSACASA-N 2 2 244.342 2.459 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000389188444 355779305 /nfs/dbraw/zinc/77/93/05/355779305.db2.gz TYFWBTQULKTCDL-RFQIPJPRSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000389188444 355779307 /nfs/dbraw/zinc/77/93/07/355779307.db2.gz TYFWBTQULKTCDL-RFQIPJPRSA-N 2 2 224.392 2.495 10 0 BEAELP C[C@H]1CCC[N@H+](CC23CCC(CC2)[NH2+]3)[C@H]1C ZINC000675056023 538476914 /nfs/dbraw/zinc/47/69/14/538476914.db2.gz IJJZVLHCRWUGLT-FEPKRQSRSA-N 2 2 222.376 2.391 10 0 BEAELP C[C@H]1CCC[N@@H+](CC23CCC(CC2)[NH2+]3)[C@H]1C ZINC000675056023 538476918 /nfs/dbraw/zinc/47/69/18/538476918.db2.gz IJJZVLHCRWUGLT-FEPKRQSRSA-N 2 2 222.376 2.391 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000389500954 356695632 /nfs/dbraw/zinc/69/56/32/356695632.db2.gz CATJRNLLKDEWLG-CQSZACIVSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000389500954 356695633 /nfs/dbraw/zinc/69/56/33/356695633.db2.gz CATJRNLLKDEWLG-CQSZACIVSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000389547848 356987730 /nfs/dbraw/zinc/98/77/30/356987730.db2.gz NAPZMTXDPSLENO-ZDUSSCGKSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000389547848 356987732 /nfs/dbraw/zinc/98/77/32/356987732.db2.gz NAPZMTXDPSLENO-ZDUSSCGKSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000389551251 356988234 /nfs/dbraw/zinc/98/82/34/356988234.db2.gz OVHOWCZRKPAWNH-AWEZNQCLSA-N 2 2 243.354 2.352 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000389551251 356988239 /nfs/dbraw/zinc/98/82/39/356988239.db2.gz OVHOWCZRKPAWNH-AWEZNQCLSA-N 2 2 243.354 2.352 10 0 BEAELP CC(C)[NH2+]CC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000193496858 357928862 /nfs/dbraw/zinc/92/88/62/357928862.db2.gz NTVNBSFZCZJXBL-GXTWGEPZSA-N 2 2 248.370 2.139 10 0 BEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCF)C1 ZINC000130273841 358615997 /nfs/dbraw/zinc/61/59/97/358615997.db2.gz OKOVFZYGFXIHDK-LBPRGKRZSA-N 2 2 239.338 2.442 10 0 BEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCF)C1 ZINC000130273841 358615999 /nfs/dbraw/zinc/61/59/99/358615999.db2.gz OKOVFZYGFXIHDK-LBPRGKRZSA-N 2 2 239.338 2.442 10 0 BEAELP C[C@H]1CC[N@H+](Cc2cc[nH]c2)C[C@H]1n1cc[nH+]c1 ZINC000246435449 359084406 /nfs/dbraw/zinc/08/44/06/359084406.db2.gz NDKNSLMEBJESOY-GXTWGEPZSA-N 2 2 244.342 2.294 10 0 BEAELP CCCc1[nH+]ccn1Cc1[nH+]ccn1CC ZINC000070424262 359053096 /nfs/dbraw/zinc/05/30/96/359053096.db2.gz USTKFUIFYXNFCK-UHFFFAOYSA-N 2 2 218.304 2.100 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH3+])[C@H]1c1csc(C)c1 ZINC000306221336 359347603 /nfs/dbraw/zinc/34/76/03/359347603.db2.gz JKFHHVGGLYFXIV-WDEREUQCSA-N 2 2 210.346 2.151 10 0 BEAELP CC[N@H+]1CC[C@H]([NH3+])[C@H]1c1csc(C)c1 ZINC000306221336 359347607 /nfs/dbraw/zinc/34/76/07/359347607.db2.gz JKFHHVGGLYFXIV-WDEREUQCSA-N 2 2 210.346 2.151 10 0 BEAELP Cc1ccsc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946402 359746196 /nfs/dbraw/zinc/74/61/96/359746196.db2.gz AKIYPEKQEIZHNL-UHFFFAOYSA-N 2 2 221.329 2.112 10 0 BEAELP Cc1ccsc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946402 359746201 /nfs/dbraw/zinc/74/62/01/359746201.db2.gz AKIYPEKQEIZHNL-UHFFFAOYSA-N 2 2 221.329 2.112 10 0 BEAELP CC[C@H]([NH2+][C@H]1C[N@H+](CC)C[C@H]1C)C1CC1 ZINC000309171498 491145849 /nfs/dbraw/zinc/14/58/49/491145849.db2.gz LKUKINDZXYCEHO-WXHSDQCUSA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@H]([NH2+][C@H]1C[N@@H+](CC)C[C@H]1C)C1CC1 ZINC000309171498 491145850 /nfs/dbraw/zinc/14/58/50/491145850.db2.gz LKUKINDZXYCEHO-WXHSDQCUSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000309440416 491148284 /nfs/dbraw/zinc/14/82/84/491148284.db2.gz IIDFVMYKBQJBBO-IHRRRGAJSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000309440416 491148285 /nfs/dbraw/zinc/14/82/85/491148285.db2.gz IIDFVMYKBQJBBO-IHRRRGAJSA-N 2 2 222.376 2.249 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000309975089 491159204 /nfs/dbraw/zinc/15/92/04/491159204.db2.gz SCYQNWHKTVGTAA-SGMGOOAPSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000309975089 491159205 /nfs/dbraw/zinc/15/92/05/491159205.db2.gz SCYQNWHKTVGTAA-SGMGOOAPSA-N 2 2 224.392 2.495 10 0 BEAELP [NH3+]CCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000037713349 181383952 /nfs/dbraw/zinc/38/39/52/181383952.db2.gz SMDQKBWLNVEWIN-CQSZACIVSA-N 2 2 230.311 2.307 10 0 BEAELP CCC[NH2+]Cc1nc(C[N@H+](C)C2CC2)cs1 ZINC000052445100 541514145 /nfs/dbraw/zinc/51/41/45/541514145.db2.gz PGGOBBNAVLLMOB-UHFFFAOYSA-N 2 2 239.388 2.237 10 0 BEAELP CCC[NH2+]Cc1nc(C[N@@H+](C)C2CC2)cs1 ZINC000052445100 541514150 /nfs/dbraw/zinc/51/41/50/541514150.db2.gz PGGOBBNAVLLMOB-UHFFFAOYSA-N 2 2 239.388 2.237 10 0 BEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384878335 367749529 /nfs/dbraw/zinc/74/95/29/367749529.db2.gz JKFRKXIOPKTKES-AAVRWANBSA-N 2 2 242.407 2.118 10 0 BEAELP [NH3+]CC[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000132276917 371783291 /nfs/dbraw/zinc/78/32/91/371783291.db2.gz FIUDPGLCOSRHJK-MRVPVSSYSA-N 2 2 230.764 2.327 10 0 BEAELP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc(C)c1O ZINC000040672616 373590837 /nfs/dbraw/zinc/59/08/37/373590837.db2.gz SZTLMEKOSMRTAR-AWEZNQCLSA-N 2 2 248.370 2.193 10 0 BEAELP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc(C)c1O ZINC000040672616 373590843 /nfs/dbraw/zinc/59/08/43/373590843.db2.gz SZTLMEKOSMRTAR-AWEZNQCLSA-N 2 2 248.370 2.193 10 0 BEAELP CCCC[C@H](C[NH3+])[N@H+](CC)Cc1ccncc1 ZINC000042515357 169002532 /nfs/dbraw/zinc/00/25/32/169002532.db2.gz HIYFDCRXHDOQLB-CQSZACIVSA-N 2 2 235.375 2.421 10 0 BEAELP CCCC[C@H](C[NH3+])[N@@H+](CC)Cc1ccncc1 ZINC000042515357 169002533 /nfs/dbraw/zinc/00/25/33/169002533.db2.gz HIYFDCRXHDOQLB-CQSZACIVSA-N 2 2 235.375 2.421 10 0 BEAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccccn1 ZINC000019279628 169151969 /nfs/dbraw/zinc/15/19/69/169151969.db2.gz BJHHMOPZESIFOB-CYBMUJFWSA-N 2 2 221.348 2.203 10 0 BEAELP CCC[N@H+]([C@@H](C)CC(C)(C)OC)[C@H]1CC[NH2+]C1 ZINC000071314819 169181908 /nfs/dbraw/zinc/18/19/08/169181908.db2.gz JDPKXGYMNVVMFL-STQMWFEESA-N 2 2 242.407 2.264 10 0 BEAELP CCC[N@@H+]([C@@H](C)CC(C)(C)OC)[C@H]1CC[NH2+]C1 ZINC000071314819 169181909 /nfs/dbraw/zinc/18/19/09/169181909.db2.gz JDPKXGYMNVVMFL-STQMWFEESA-N 2 2 242.407 2.264 10 0 BEAELP CCC[NH+]1CCC([NH2+]C)(c2nccs2)CC1 ZINC000041060313 169188408 /nfs/dbraw/zinc/18/84/08/169188408.db2.gz SRCLUROFQVMAOF-UHFFFAOYSA-N 2 2 239.388 2.064 10 0 BEAELP CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897404 169197884 /nfs/dbraw/zinc/19/78/84/169197884.db2.gz CSPQUIXMKWKXLX-LBPRGKRZSA-N 2 2 221.348 2.492 10 0 BEAELP CCC[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897404 169197885 /nfs/dbraw/zinc/19/78/85/169197885.db2.gz CSPQUIXMKWKXLX-LBPRGKRZSA-N 2 2 221.348 2.492 10 0 BEAELP CCC[N@@H+]1Cc2ccccc2C[C@H]1C[NH2+]C ZINC000051860071 169210954 /nfs/dbraw/zinc/21/09/54/169210954.db2.gz WIBSCYUYTAVTLY-AWEZNQCLSA-N 2 2 218.344 2.043 10 0 BEAELP CCC[N@H+]1Cc2ccccc2C[C@H]1C[NH2+]C ZINC000051860071 169210955 /nfs/dbraw/zinc/21/09/55/169210955.db2.gz WIBSCYUYTAVTLY-AWEZNQCLSA-N 2 2 218.344 2.043 10 0 BEAELP CCC[NH2+]C[C@H]1CCCC[N@@H+]1CCOC(C)C ZINC000053651338 169264941 /nfs/dbraw/zinc/26/49/41/169264941.db2.gz QSRYAYZKLPKYDE-CQSZACIVSA-N 2 2 242.407 2.266 10 0 BEAELP CCC[NH2+]C[C@H]1CCCC[N@H+]1CCOC(C)C ZINC000053651338 169264943 /nfs/dbraw/zinc/26/49/43/169264943.db2.gz QSRYAYZKLPKYDE-CQSZACIVSA-N 2 2 242.407 2.266 10 0 BEAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000040671052 183393196 /nfs/dbraw/zinc/39/31/96/183393196.db2.gz JDHOKEGPILAYGT-OAHLLOKOSA-N 2 2 230.355 2.055 10 0 BEAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000040671052 183393197 /nfs/dbraw/zinc/39/31/97/183393197.db2.gz JDHOKEGPILAYGT-OAHLLOKOSA-N 2 2 230.355 2.055 10 0 BEAELP CCC[NH2+]Cc1cccnc1-n1c[nH+]c(C)c1C ZINC000051928424 169267952 /nfs/dbraw/zinc/26/79/52/169267952.db2.gz BOQTYODDXSRSDP-UHFFFAOYSA-N 2 2 244.342 2.384 10 0 BEAELP c1ccc(C[N@@H+]2CCC[C@H]3[NH2+]CCC[C@@H]32)cc1 ZINC000083328892 183398046 /nfs/dbraw/zinc/39/80/46/183398046.db2.gz BMUSNGKZAWNBLY-CABCVRRESA-N 2 2 230.355 2.403 10 0 BEAELP c1ccc(C[N@H+]2CCC[C@H]3[NH2+]CCC[C@@H]32)cc1 ZINC000083328892 183398048 /nfs/dbraw/zinc/39/80/48/183398048.db2.gz BMUSNGKZAWNBLY-CABCVRRESA-N 2 2 230.355 2.403 10 0 BEAELP c1ccc(C[N@@H+]2CCC[C@@H]3[NH2+]CCC[C@@H]32)cc1 ZINC000083328894 183398933 /nfs/dbraw/zinc/39/89/33/183398933.db2.gz BMUSNGKZAWNBLY-GJZGRUSLSA-N 2 2 230.355 2.403 10 0 BEAELP c1ccc(C[N@H+]2CCC[C@@H]3[NH2+]CCC[C@@H]32)cc1 ZINC000083328894 183398935 /nfs/dbraw/zinc/39/89/35/183398935.db2.gz BMUSNGKZAWNBLY-GJZGRUSLSA-N 2 2 230.355 2.403 10 0 BEAELP CCCO[C@@H]1CCC[N@H+](CC(C)(C)[NH2+]CC)C1 ZINC000061299841 169311037 /nfs/dbraw/zinc/31/10/37/169311037.db2.gz UWFKIXVXZVIBGH-CYBMUJFWSA-N 2 2 242.407 2.266 10 0 BEAELP CCCO[C@@H]1CCC[N@@H+](CC(C)(C)[NH2+]CC)C1 ZINC000061299841 169311038 /nfs/dbraw/zinc/31/10/38/169311038.db2.gz UWFKIXVXZVIBGH-CYBMUJFWSA-N 2 2 242.407 2.266 10 0 BEAELP CCCOc1ccc([C@H](C[NH3+])[N@H+](C)CC)cc1 ZINC000020226549 169322469 /nfs/dbraw/zinc/32/24/69/169322469.db2.gz YASQBVDKVBYQTN-AWEZNQCLSA-N 2 2 236.359 2.427 10 0 BEAELP CCCOc1ccc([C@H](C[NH3+])[N@@H+](C)CC)cc1 ZINC000020226549 169322470 /nfs/dbraw/zinc/32/24/70/169322470.db2.gz YASQBVDKVBYQTN-AWEZNQCLSA-N 2 2 236.359 2.427 10 0 BEAELP Cc1cc[nH+]cc1CCC[NH2+][C@H]1C[C@H]1C ZINC000309139664 384108425 /nfs/dbraw/zinc/10/84/25/384108425.db2.gz STKTVSXPIOPULS-YPMHNXCESA-N 2 2 204.317 2.321 10 0 BEAELP CCC[C@H]1C[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000568273313 384743949 /nfs/dbraw/zinc/74/39/49/384743949.db2.gz QSHGXNQSTBNIQQ-CMPLNLGQSA-N 2 2 207.321 2.007 10 0 BEAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000107786866 384782990 /nfs/dbraw/zinc/78/29/90/384782990.db2.gz ZERFQJUKSDDOJE-JSGCOSHPSA-N 2 2 248.370 2.440 10 0 BEAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000107786866 384782998 /nfs/dbraw/zinc/78/29/98/384782998.db2.gz ZERFQJUKSDDOJE-JSGCOSHPSA-N 2 2 248.370 2.440 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000398115144 384806582 /nfs/dbraw/zinc/80/65/82/384806582.db2.gz YTJUZXSXDNOCFN-AAEUAGOBSA-N 2 2 210.365 2.249 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000398115144 384806590 /nfs/dbraw/zinc/80/65/90/384806590.db2.gz YTJUZXSXDNOCFN-AAEUAGOBSA-N 2 2 210.365 2.249 10 0 BEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC1CC1 ZINC000156645323 384916579 /nfs/dbraw/zinc/91/65/79/384916579.db2.gz REPYVTZLMUVUFG-CYBMUJFWSA-N 2 2 219.332 2.066 10 0 BEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC1CC1 ZINC000156645323 384916583 /nfs/dbraw/zinc/91/65/83/384916583.db2.gz REPYVTZLMUVUFG-CYBMUJFWSA-N 2 2 219.332 2.066 10 0 BEAELP Cc1ccc(CCC[NH2+][C@H]2C[C@@H]2C)c[nH+]1 ZINC000309161810 385442718 /nfs/dbraw/zinc/44/27/18/385442718.db2.gz ZKRGGQZCGMWPJT-GWCFXTLKSA-N 2 2 204.317 2.321 10 0 BEAELP CC(C)[C@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000309541170 385673824 /nfs/dbraw/zinc/67/38/24/385673824.db2.gz DVWQVXCHOOBLHI-NWDGAFQWSA-N 2 2 221.348 2.395 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000414548927 385724455 /nfs/dbraw/zinc/72/44/55/385724455.db2.gz LCOLFTGTVXGWMO-CQSZACIVSA-N 2 2 248.370 2.187 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000414548927 385724459 /nfs/dbraw/zinc/72/44/59/385724459.db2.gz LCOLFTGTVXGWMO-CQSZACIVSA-N 2 2 248.370 2.187 10 0 BEAELP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000336720881 385890364 /nfs/dbraw/zinc/89/03/64/385890364.db2.gz ZHYRTXBMELPBQV-YVECIDJPSA-N 2 2 242.432 2.199 10 0 BEAELP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000336720881 385890369 /nfs/dbraw/zinc/89/03/69/385890369.db2.gz ZHYRTXBMELPBQV-YVECIDJPSA-N 2 2 242.432 2.199 10 0 BEAELP CCC[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000336721895 386002671 /nfs/dbraw/zinc/00/26/71/386002671.db2.gz DPYAAGAVNHFDAJ-OLZOCXBDSA-N 2 2 221.348 2.442 10 0 BEAELP COc1ccc[nH+]c1N[C@H](C)CCCC[NH3+] ZINC000309445026 386010870 /nfs/dbraw/zinc/01/08/70/386010870.db2.gz MRLXYIZTLUSJIY-SNVBAGLBSA-N 2 2 223.320 2.020 10 0 BEAELP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000336770233 386011818 /nfs/dbraw/zinc/01/18/18/386011818.db2.gz VKWFQQKELARCOF-YNEHKIRRSA-N 2 2 212.381 2.495 10 0 BEAELP [NH3+]CCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000414696337 386197292 /nfs/dbraw/zinc/19/72/92/386197292.db2.gz QBBDIMBSOXXQLC-JTQLQIEISA-N 2 2 225.361 2.019 10 0 BEAELP [NH3+]CCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000414696337 386197298 /nfs/dbraw/zinc/19/72/98/386197298.db2.gz QBBDIMBSOXXQLC-JTQLQIEISA-N 2 2 225.361 2.019 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1c(Cl)cccc1C(F)(F)F ZINC000044473259 386781177 /nfs/dbraw/zinc/78/11/77/386781177.db2.gz VBKGRRQWQAJVBR-ZETCQYMHSA-N 2 2 238.640 2.317 10 0 BEAELP [NH3+]C[C@@H]([NH3+])c1c(Cl)cccc1C(F)(F)F ZINC000044473256 386781445 /nfs/dbraw/zinc/78/14/45/386781445.db2.gz VBKGRRQWQAJVBR-SSDOTTSWSA-N 2 2 238.640 2.317 10 0 BEAELP [NH3+]C[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000035677081 387438164 /nfs/dbraw/zinc/43/81/64/387438164.db2.gz GNOKAQKANCBPMK-AWEZNQCLSA-N 2 2 212.296 2.312 10 0 BEAELP C[C@@H]1CC[N@@H+](C2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000245589307 387963822 /nfs/dbraw/zinc/96/38/22/387963822.db2.gz FZCCVSNSGTYVTE-DGCLKSJQSA-N 2 2 219.332 2.319 10 0 BEAELP C[C@@H]1CC[N@H+](C2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000245589307 387963826 /nfs/dbraw/zinc/96/38/26/387963826.db2.gz FZCCVSNSGTYVTE-DGCLKSJQSA-N 2 2 219.332 2.319 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000246449938 388636639 /nfs/dbraw/zinc/63/66/39/388636639.db2.gz PEJYVBQJOCDYIZ-MBNYWOFBSA-N 2 2 224.392 2.493 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000246449938 388636641 /nfs/dbraw/zinc/63/66/41/388636641.db2.gz PEJYVBQJOCDYIZ-MBNYWOFBSA-N 2 2 224.392 2.493 10 0 BEAELP CC1CCC(C[NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000127337783 388721179 /nfs/dbraw/zinc/72/11/79/388721179.db2.gz DWFGACRVLJHYSY-RUXDESIVSA-N 2 2 224.392 2.497 10 0 BEAELP CC1CCC(C[NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000127337783 388721180 /nfs/dbraw/zinc/72/11/80/388721180.db2.gz DWFGACRVLJHYSY-RUXDESIVSA-N 2 2 224.392 2.497 10 0 BEAELP Cc1cc(C)c(C[NH3+])c(N2CCCCC2)[nH+]1 ZINC000020443007 132331727 /nfs/dbraw/zinc/33/17/27/132331727.db2.gz GFHDFBQLOGKPMS-UHFFFAOYSA-N 2 2 219.332 2.147 10 0 BEAELP c1ccc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)[nH+]c1 ZINC000037918222 132345539 /nfs/dbraw/zinc/34/55/39/132345539.db2.gz SIZZJKLLDMFNHN-STQMWFEESA-N 2 2 231.343 2.050 10 0 BEAELP C[C@@H]1C[NH2+]CCN1c1ccc([NH+]2CCCC2)cc1 ZINC000041296537 132350016 /nfs/dbraw/zinc/35/00/16/132350016.db2.gz JVZSYNLDKPJXLL-CYBMUJFWSA-N 2 2 245.370 2.085 10 0 BEAELP [NH3+]Cc1cc(N2CCc3ccccc3C2)cc[nH+]1 ZINC000051396370 132360187 /nfs/dbraw/zinc/36/01/87/132360187.db2.gz AFUVSNPYSVIUBI-UHFFFAOYSA-N 2 2 239.322 2.103 10 0 BEAELP [NH3+][C@@H]1CCCN(c2ccc([NH+]3CCCC3)cc2)C1 ZINC000057955965 132367503 /nfs/dbraw/zinc/36/75/03/132367503.db2.gz GXCNIGNKAMHFRE-CYBMUJFWSA-N 2 2 245.370 2.214 10 0 BEAELP Cn1c[nH+]cc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000177080854 134297431 /nfs/dbraw/zinc/29/74/31/134297431.db2.gz DQZGCKWFKCEZPP-LBPRGKRZSA-N 2 2 231.299 2.350 10 0 BEAELP Cn1c[nH+]cc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000177080854 134297432 /nfs/dbraw/zinc/29/74/32/134297432.db2.gz DQZGCKWFKCEZPP-LBPRGKRZSA-N 2 2 231.299 2.350 10 0 BEAELP COCCC[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000181284077 134334913 /nfs/dbraw/zinc/33/49/13/134334913.db2.gz TUNWCQQCAMBLFJ-IHRRRGAJSA-N 2 2 242.407 2.120 10 0 BEAELP COCCC[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000181284077 134334914 /nfs/dbraw/zinc/33/49/14/134334914.db2.gz TUNWCQQCAMBLFJ-IHRRRGAJSA-N 2 2 242.407 2.120 10 0 BEAELP CC(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248021275 135001789 /nfs/dbraw/zinc/00/17/89/135001789.db2.gz NVXPFFFEPDEPDQ-DZGCQCFKSA-N 2 2 247.386 2.290 10 0 BEAELP CC(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248021275 135001792 /nfs/dbraw/zinc/00/17/92/135001792.db2.gz NVXPFFFEPDEPDQ-DZGCQCFKSA-N 2 2 247.386 2.290 10 0 BEAELP C[C@@H]1CC[N@H+](Cc2cccs2)[C@H](C[NH3+])C1 ZINC000261535929 135170702 /nfs/dbraw/zinc/17/07/02/135170702.db2.gz PSQDEERQIOFTLM-MNOVXSKESA-N 2 2 224.373 2.307 10 0 BEAELP C[C@@H]1CC[N@@H+](Cc2cccs2)[C@H](C[NH3+])C1 ZINC000261535929 135170704 /nfs/dbraw/zinc/17/07/04/135170704.db2.gz PSQDEERQIOFTLM-MNOVXSKESA-N 2 2 224.373 2.307 10 0 BEAELP C[C@@H]1CC[N@H+](Cc2ccsc2)[C@H](C[NH3+])C1 ZINC000261537940 135174528 /nfs/dbraw/zinc/17/45/28/135174528.db2.gz WUUKSFPUNMSPMU-PWSUYJOCSA-N 2 2 224.373 2.307 10 0 BEAELP C[C@@H]1CC[N@@H+](Cc2ccsc2)[C@H](C[NH3+])C1 ZINC000261537940 135174530 /nfs/dbraw/zinc/17/45/30/135174530.db2.gz WUUKSFPUNMSPMU-PWSUYJOCSA-N 2 2 224.373 2.307 10 0 BEAELP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccccc1OC ZINC000261554911 135194400 /nfs/dbraw/zinc/19/44/00/135194400.db2.gz PJYPOBKNDIFTPW-MDZLAQPJSA-N 2 2 236.359 2.472 10 0 BEAELP Cc1cnc([C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)o1 ZINC000335401020 136094399 /nfs/dbraw/zinc/09/43/99/136094399.db2.gz UTWZKPWIUUIJAK-QWRGUYRKSA-N 2 2 237.347 2.103 10 0 BEAELP Cc1cnc([C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)o1 ZINC000335401020 136094400 /nfs/dbraw/zinc/09/44/00/136094400.db2.gz UTWZKPWIUUIJAK-QWRGUYRKSA-N 2 2 237.347 2.103 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccsc2C)C1 ZINC000382299132 397933273 /nfs/dbraw/zinc/93/32/73/397933273.db2.gz MXSJOYSVUFWAQK-GXFFZTMASA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccsc2C)C1 ZINC000382299132 397933277 /nfs/dbraw/zinc/93/32/77/397933277.db2.gz MXSJOYSVUFWAQK-GXFFZTMASA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccsc2C)C1 ZINC000382299133 397934768 /nfs/dbraw/zinc/93/47/68/397934768.db2.gz MXSJOYSVUFWAQK-MFKMUULPSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccsc2C)C1 ZINC000382299133 397934769 /nfs/dbraw/zinc/93/47/69/397934769.db2.gz MXSJOYSVUFWAQK-MFKMUULPSA-N 2 2 238.400 2.486 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000393240986 487569188 /nfs/dbraw/zinc/56/91/88/487569188.db2.gz OBAIIYRRAPUHOF-VXGBXAGGSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000393240986 487569191 /nfs/dbraw/zinc/56/91/91/487569191.db2.gz OBAIIYRRAPUHOF-VXGBXAGGSA-N 2 2 212.381 2.352 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000393359886 410678495 /nfs/dbraw/zinc/67/84/95/410678495.db2.gz TWENVGNGYAMQIS-GFCCVEGCSA-N 2 2 210.365 2.106 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000393359886 410678502 /nfs/dbraw/zinc/67/85/02/410678502.db2.gz TWENVGNGYAMQIS-GFCCVEGCSA-N 2 2 210.365 2.106 10 0 BEAELP CC(C)C[NH2+]CC[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000052481942 167004931 /nfs/dbraw/zinc/00/49/31/167004931.db2.gz FCGNWGANKISTBC-ZDUSSCGKSA-N 2 2 242.407 2.121 10 0 BEAELP CC(C)C[NH2+]CC[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000052481942 167004933 /nfs/dbraw/zinc/00/49/33/167004933.db2.gz FCGNWGANKISTBC-ZDUSSCGKSA-N 2 2 242.407 2.121 10 0 BEAELP CC(C)C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000378356642 167007102 /nfs/dbraw/zinc/00/71/02/167007102.db2.gz VXOALNWMIDKNGL-NSHDSACASA-N 2 2 207.321 2.006 10 0 BEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000336691026 167027237 /nfs/dbraw/zinc/02/72/37/167027237.db2.gz WPIMPDDQSUFNKL-NDBYEHHHSA-N 2 2 242.432 2.056 10 0 BEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000336691026 167027240 /nfs/dbraw/zinc/02/72/40/167027240.db2.gz WPIMPDDQSUFNKL-NDBYEHHHSA-N 2 2 242.432 2.056 10 0 BEAELP CC[NH+](CC)CC[NH2+]CCC(C)(C)C ZINC000037488665 169779811 /nfs/dbraw/zinc/77/98/11/169779811.db2.gz GQOBAMAHYGJRGK-UHFFFAOYSA-N 2 2 200.370 2.354 10 0 BEAELP CC(C)[NH2+]C[C@H](C)C[N@H+](C)Cc1ccccn1 ZINC000052478770 167113226 /nfs/dbraw/zinc/11/32/26/167113226.db2.gz ZAHGVEUDOJNEFI-ZDUSSCGKSA-N 2 2 235.375 2.148 10 0 BEAELP CC(C)[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccccn1 ZINC000052478770 167113229 /nfs/dbraw/zinc/11/32/29/167113229.db2.gz ZAHGVEUDOJNEFI-ZDUSSCGKSA-N 2 2 235.375 2.148 10 0 BEAELP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000309541166 167381690 /nfs/dbraw/zinc/38/16/90/167381690.db2.gz DVWQVXCHOOBLHI-NEPJUHHUSA-N 2 2 221.348 2.395 10 0 BEAELP CC(C)[C@@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000022210837 167396516 /nfs/dbraw/zinc/39/65/16/167396516.db2.gz FOLNOKVPQOGRCT-LLVKDONJSA-N 2 2 224.373 2.090 10 0 BEAELP CC(C)[C@@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000022210837 167396518 /nfs/dbraw/zinc/39/65/18/167396518.db2.gz FOLNOKVPQOGRCT-LLVKDONJSA-N 2 2 224.373 2.090 10 0 BEAELP CC[C@H]([NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C)C(C)C ZINC000336773679 411181915 /nfs/dbraw/zinc/18/19/15/411181915.db2.gz ZAGDBLKGDPCSDG-RWMBFGLXSA-N 2 2 212.381 2.351 10 0 BEAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C)C(C)C ZINC000336773679 411181918 /nfs/dbraw/zinc/18/19/18/411181918.db2.gz ZAGDBLKGDPCSDG-RWMBFGLXSA-N 2 2 212.381 2.351 10 0 BEAELP COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396727757 411240438 /nfs/dbraw/zinc/24/04/38/411240438.db2.gz ZMCPVRFARAPPNX-SCRDCRAPSA-N 2 2 248.370 2.486 10 0 BEAELP c1ccc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)[nH+]c1 ZINC000656609921 411308744 /nfs/dbraw/zinc/30/87/44/411308744.db2.gz ZVWUKUQYSHXQOD-CQSZACIVSA-N 2 2 245.370 2.298 10 0 BEAELP CCC(C)(C)[NH2+]C[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061936415 168298879 /nfs/dbraw/zinc/29/88/79/168298879.db2.gz GHQWSXWUQBGFHB-QWHCGFSZSA-N 2 2 242.407 2.264 10 0 BEAELP CCC(C)(C)[NH2+]C[C@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000061936415 168298881 /nfs/dbraw/zinc/29/88/81/168298881.db2.gz GHQWSXWUQBGFHB-QWHCGFSZSA-N 2 2 242.407 2.264 10 0 BEAELP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)CCO1 ZINC000070359362 411412094 /nfs/dbraw/zinc/41/20/94/411412094.db2.gz AEHOYXHSPUEKAT-MGPQQGTHSA-N 2 2 240.391 2.018 10 0 BEAELP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)CCO1 ZINC000070359362 411412096 /nfs/dbraw/zinc/41/20/96/411412096.db2.gz AEHOYXHSPUEKAT-MGPQQGTHSA-N 2 2 240.391 2.018 10 0 BEAELP CC[N@H+](Cc1ccc(OC)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000071312320 169908063 /nfs/dbraw/zinc/90/80/63/169908063.db2.gz PFBBBPSJRHJAIZ-AWEZNQCLSA-N 2 2 248.370 2.187 10 0 BEAELP CC[N@@H+](Cc1ccc(OC)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000071312320 169908064 /nfs/dbraw/zinc/90/80/64/169908064.db2.gz PFBBBPSJRHJAIZ-AWEZNQCLSA-N 2 2 248.370 2.187 10 0 BEAELP Cc1[nH+]cc(C[NH2+][C@H](C)c2cncc(F)c2)n1C ZINC000657430715 411507970 /nfs/dbraw/zinc/50/79/70/411507970.db2.gz BCGAHRVJNCRBRT-SECBINFHSA-N 2 2 248.305 2.113 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000328223563 170020416 /nfs/dbraw/zinc/02/04/16/170020416.db2.gz ZIEFWLFNRSMQJH-RUXDESIVSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000328223563 170020417 /nfs/dbraw/zinc/02/04/17/170020417.db2.gz ZIEFWLFNRSMQJH-RUXDESIVSA-N 2 2 224.392 2.497 10 0 BEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000336898083 170022584 /nfs/dbraw/zinc/02/25/84/170022584.db2.gz QDLXIEQRYWVHOJ-JSGCOSHPSA-N 2 2 248.370 2.440 10 0 BEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000336898083 170022585 /nfs/dbraw/zinc/02/25/85/170022585.db2.gz QDLXIEQRYWVHOJ-JSGCOSHPSA-N 2 2 248.370 2.440 10 0 BEAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2CCSCC2)C1 ZINC000309419804 170031517 /nfs/dbraw/zinc/03/15/17/170031517.db2.gz AKRMCUOWZKSCLU-DGCLKSJQSA-N 2 2 242.432 2.059 10 0 BEAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2CCSCC2)C1 ZINC000309419804 170031518 /nfs/dbraw/zinc/03/15/18/170031518.db2.gz AKRMCUOWZKSCLU-DGCLKSJQSA-N 2 2 242.432 2.059 10 0 BEAELP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCC2(C)C)[C@@H](C)C1 ZINC000309907560 170036558 /nfs/dbraw/zinc/03/65/58/170036558.db2.gz KZLCTQWWBXWHDO-RWMBFGLXSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCC2(C)C)[C@@H](C)C1 ZINC000309907560 170036560 /nfs/dbraw/zinc/03/65/60/170036560.db2.gz KZLCTQWWBXWHDO-RWMBFGLXSA-N 2 2 224.392 2.495 10 0 BEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](C)C2)C1 ZINC000309046086 170039537 /nfs/dbraw/zinc/03/95/37/170039537.db2.gz ORNZPOCMYHDFLA-ZDEQEGDKSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](C)C2)C1 ZINC000309046086 170039539 /nfs/dbraw/zinc/03/95/39/170039539.db2.gz ORNZPOCMYHDFLA-ZDEQEGDKSA-N 2 2 210.365 2.105 10 0 BEAELP CC[NH2+]C(C)(C)C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000061299953 170107329 /nfs/dbraw/zinc/10/73/29/170107329.db2.gz XTHSRPBOXWTISB-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[NH2+]C(C)(C)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000061299953 170107330 /nfs/dbraw/zinc/10/73/30/170107330.db2.gz XTHSRPBOXWTISB-RYUDHWBXSA-N 2 2 212.381 2.495 10 0 BEAELP CC[NH2+]C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000047944156 170119277 /nfs/dbraw/zinc/11/92/77/170119277.db2.gz IQVFBTPYXOVTAJ-OAHLLOKOSA-N 2 2 232.371 2.433 10 0 BEAELP CC[NH2+]C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000047944156 170119278 /nfs/dbraw/zinc/11/92/78/170119278.db2.gz IQVFBTPYXOVTAJ-OAHLLOKOSA-N 2 2 232.371 2.433 10 0 BEAELP CC[NH2+]Cc1c[nH+]c(Cc2ccc(OC)cc2)[nH]1 ZINC000062820989 170124340 /nfs/dbraw/zinc/12/43/40/170124340.db2.gz RCNWZRGBVSSHHS-UHFFFAOYSA-N 2 2 245.326 2.119 10 0 BEAELP CC[NH2+]Cc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC000050562422 170126217 /nfs/dbraw/zinc/12/62/17/170126217.db2.gz PCOXQSYFKMANCG-UHFFFAOYSA-N 2 2 215.300 2.290 10 0 BEAELP CC[NH2+][C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000050270216 170145065 /nfs/dbraw/zinc/14/50/65/170145065.db2.gz WACXIBNWGSRJBF-JTQLQIEISA-N 2 2 248.248 2.195 10 0 BEAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CCc2ccco2)C1 ZINC000049568574 170151704 /nfs/dbraw/zinc/15/17/04/170151704.db2.gz JPDQVIHIVRLHHD-QWHCGFSZSA-N 2 2 236.359 2.285 10 0 BEAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)CCc2ccco2)C1 ZINC000049568574 170151705 /nfs/dbraw/zinc/15/17/05/170151705.db2.gz JPDQVIHIVRLHHD-QWHCGFSZSA-N 2 2 236.359 2.285 10 0 BEAELP CC[NH2+][C@H](C[NH3+])c1c(OC)ccc2ccccc21 ZINC000050270313 170162096 /nfs/dbraw/zinc/16/20/96/170162096.db2.gz FOCINLRJKZHJQV-CYBMUJFWSA-N 2 2 244.338 2.458 10 0 BEAELP CC[NH2+][C@H]1CCCC[C@H]1[NH+]1CCCCC1 ZINC000043814333 170165553 /nfs/dbraw/zinc/16/55/53/170165553.db2.gz GJAQJOSYRKSZPW-QWHCGFSZSA-N 2 2 210.365 2.393 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+](C2(C)CCCCC2)C1 ZINC000045046010 170166636 /nfs/dbraw/zinc/16/66/36/170166636.db2.gz UBKANEHWEZUFIB-LBPRGKRZSA-N 2 2 210.365 2.393 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+](C2(C)CCCCC2)C1 ZINC000045046010 170166638 /nfs/dbraw/zinc/16/66/38/170166638.db2.gz UBKANEHWEZUFIB-LBPRGKRZSA-N 2 2 210.365 2.393 10 0 BEAELP CC[NH2+][C@H]1CCC[C@@H]1[NH+]1CCC(C)CC1 ZINC000043806635 170166958 /nfs/dbraw/zinc/16/69/58/170166958.db2.gz DVXOIIILVFUBOK-STQMWFEESA-N 2 2 210.365 2.249 10 0 BEAELP CC[NH2+][C@H]1CC[N@H+](Cc2ccncc2)[C@H](C)C1 ZINC000049712482 170167554 /nfs/dbraw/zinc/16/75/54/170167554.db2.gz BXXQYKZPLWJFAK-OCCSQVGLSA-N 2 2 233.359 2.044 10 0 BEAELP CC[NH2+][C@H]1CC[N@@H+](Cc2ccncc2)[C@H](C)C1 ZINC000049712482 170167555 /nfs/dbraw/zinc/16/75/55/170167555.db2.gz BXXQYKZPLWJFAK-OCCSQVGLSA-N 2 2 233.359 2.044 10 0 BEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657844270 411610413 /nfs/dbraw/zinc/61/04/13/411610413.db2.gz IDUSLHCGYWAITM-QWHCGFSZSA-N 2 2 242.432 2.346 10 0 BEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657844270 411610414 /nfs/dbraw/zinc/61/04/14/411610414.db2.gz IDUSLHCGYWAITM-QWHCGFSZSA-N 2 2 242.432 2.346 10 0 BEAELP CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccncc2)CC[NH2+]1 ZINC000049662178 171014265 /nfs/dbraw/zinc/01/42/65/171014265.db2.gz OJZVCDQETFVOBJ-GXTWGEPZSA-N 2 2 233.359 2.217 10 0 BEAELP CC[C@@H]1CC[N@H+]([C@@H](C)c2ccncc2)CC[NH2+]1 ZINC000049662178 171014266 /nfs/dbraw/zinc/01/42/66/171014266.db2.gz OJZVCDQETFVOBJ-GXTWGEPZSA-N 2 2 233.359 2.217 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000336680687 171045907 /nfs/dbraw/zinc/04/59/07/171045907.db2.gz CWCNAWPSOTUFDZ-CRWXNKLISA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000336680687 171045909 /nfs/dbraw/zinc/04/59/09/171045909.db2.gz CWCNAWPSOTUFDZ-CRWXNKLISA-N 2 2 224.392 2.493 10 0 BEAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)Cc2cccnc2)C1 ZINC000036771133 171055747 /nfs/dbraw/zinc/05/57/47/171055747.db2.gz LINPFSARUGSFPY-VHDGCEQUSA-N 2 2 247.386 2.419 10 0 BEAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)Cc2cccnc2)C1 ZINC000036771133 171055750 /nfs/dbraw/zinc/05/57/50/171055750.db2.gz LINPFSARUGSFPY-VHDGCEQUSA-N 2 2 247.386 2.419 10 0 BEAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1(C)CCCC1 ZINC000054243538 173004334 /nfs/dbraw/zinc/00/43/34/173004334.db2.gz DRYVGYFVXJNDMZ-GFCCVEGCSA-N 2 2 210.365 2.393 10 0 BEAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C1(C)CCCC1 ZINC000054243538 173004336 /nfs/dbraw/zinc/00/43/36/173004336.db2.gz DRYVGYFVXJNDMZ-GFCCVEGCSA-N 2 2 210.365 2.393 10 0 BEAELP C[N@@H+]1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000044562813 173010499 /nfs/dbraw/zinc/01/04/99/173010499.db2.gz ZBNZGKJHXGVSOP-ZDUSSCGKSA-N 2 2 210.365 2.251 10 0 BEAELP C[N@H+]1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000044562813 173010501 /nfs/dbraw/zinc/01/05/01/173010501.db2.gz ZBNZGKJHXGVSOP-ZDUSSCGKSA-N 2 2 210.365 2.251 10 0 BEAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218140170 173056745 /nfs/dbraw/zinc/05/67/45/173056745.db2.gz UECQSWDDDGQWOT-AWEZNQCLSA-N 2 2 243.354 2.352 10 0 BEAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218140170 173056748 /nfs/dbraw/zinc/05/67/48/173056748.db2.gz UECQSWDDDGQWOT-AWEZNQCLSA-N 2 2 243.354 2.352 10 0 BEAELP C[N@@H+]1CCc2nc([C@@H]([NH3+])C(C)(C)C)sc2C1 ZINC000041059681 173173552 /nfs/dbraw/zinc/17/35/52/173173552.db2.gz WNHFODHAXFTTMI-SNVBAGLBSA-N 2 2 239.388 2.177 10 0 BEAELP C[N@H+]1CCc2nc([C@@H]([NH3+])C(C)(C)C)sc2C1 ZINC000041059681 173173553 /nfs/dbraw/zinc/17/35/53/173173553.db2.gz WNHFODHAXFTTMI-SNVBAGLBSA-N 2 2 239.388 2.177 10 0 BEAELP C[NH2+]CCCc1[nH+]c2cc(C)ccc2n1C ZINC000037437959 173350549 /nfs/dbraw/zinc/35/05/49/173350549.db2.gz BXTSTWLJTYCMOB-UHFFFAOYSA-N 2 2 217.316 2.034 10 0 BEAELP C[NH2+]CCCc1[nH]cc(-c2cccc(OC)c2)[nH+]1 ZINC000037611637 173351581 /nfs/dbraw/zinc/35/15/81/173351581.db2.gz GFLJNGDNJUMBGS-UHFFFAOYSA-N 2 2 245.326 2.237 10 0 BEAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000042407899 173367058 /nfs/dbraw/zinc/36/70/58/173367058.db2.gz DLUSFRVNLXMRKL-LBPRGKRZSA-N 2 2 224.373 2.322 10 0 BEAELP C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000042407899 173367059 /nfs/dbraw/zinc/36/70/59/173367059.db2.gz DLUSFRVNLXMRKL-LBPRGKRZSA-N 2 2 224.373 2.322 10 0 BEAELP C[NH2+]C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1C ZINC000052376158 173367251 /nfs/dbraw/zinc/36/72/51/173367251.db2.gz OHHPPQYKJKWKIY-JSGCOSHPSA-N 2 2 218.344 2.431 10 0 BEAELP C[NH2+]C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1C ZINC000052376158 173367254 /nfs/dbraw/zinc/36/72/54/173367254.db2.gz OHHPPQYKJKWKIY-JSGCOSHPSA-N 2 2 218.344 2.431 10 0 BEAELP C[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2sccc2C1 ZINC000052382830 173373314 /nfs/dbraw/zinc/37/33/14/173373314.db2.gz DUCYBGKATSJGMI-GFCCVEGCSA-N 2 2 238.400 2.350 10 0 BEAELP C[NH2+]C[C@H](C(C)C)[N@H+]1CCc2sccc2C1 ZINC000052382830 173373315 /nfs/dbraw/zinc/37/33/15/173373315.db2.gz DUCYBGKATSJGMI-GFCCVEGCSA-N 2 2 238.400 2.350 10 0 BEAELP C[NH2+]C[C@H](C(C)C)[NH+]1Cc2ccccc2C1 ZINC000052374184 173373523 /nfs/dbraw/zinc/37/35/23/173373523.db2.gz APMBVOORFVDKSH-CQSZACIVSA-N 2 2 218.344 2.246 10 0 BEAELP C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000034825248 173385217 /nfs/dbraw/zinc/38/52/17/173385217.db2.gz XKFHGBBUOXRSCY-UHFFFAOYSA-N 2 2 221.691 2.245 10 0 BEAELP COC1CC[NH+]([C@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000037265847 174030343 /nfs/dbraw/zinc/03/03/43/174030343.db2.gz QJKZDHKSRXKUEO-OAHLLOKOSA-N 2 2 248.370 2.106 10 0 BEAELP COCCC[N@H+](C)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000062029288 174220305 /nfs/dbraw/zinc/22/03/05/174220305.db2.gz GUATVCWFYCWGFW-TZMCWYRMSA-N 2 2 236.359 2.043 10 0 BEAELP COCCC[N@@H+](C)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000062029288 174220306 /nfs/dbraw/zinc/22/03/06/174220306.db2.gz GUATVCWFYCWGFW-TZMCWYRMSA-N 2 2 236.359 2.043 10 0 BEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC(C)C)cc1 ZINC000020225878 175178379 /nfs/dbraw/zinc/17/83/79/175178379.db2.gz UQEISUBSXJNOJA-CQSZACIVSA-N 2 2 236.359 2.283 10 0 BEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC(C)C)cc1 ZINC000020225878 175178380 /nfs/dbraw/zinc/17/83/80/175178380.db2.gz UQEISUBSXJNOJA-CQSZACIVSA-N 2 2 236.359 2.283 10 0 BEAELP COc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](C)C2CC2)cc1 ZINC000042960665 175181625 /nfs/dbraw/zinc/18/16/25/175181625.db2.gz HOYLQPRHMUUTMS-IINYFYTJSA-N 2 2 234.343 2.178 10 0 BEAELP COc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)C2CC2)cc1 ZINC000042960665 175181626 /nfs/dbraw/zinc/18/16/26/175181626.db2.gz HOYLQPRHMUUTMS-IINYFYTJSA-N 2 2 234.343 2.178 10 0 BEAELP COc1ccc2cc([C@@H](C[NH3+])[NH+](C)C)ccc2c1 ZINC000019255871 175225085 /nfs/dbraw/zinc/22/50/85/175225085.db2.gz LXOUQZLCFHTHHK-OAHLLOKOSA-N 2 2 244.338 2.410 10 0 BEAELP COc1cccc([C@@H](C)[N@@H+]2CCC[NH2+]CC2)c1 ZINC000022100340 175286545 /nfs/dbraw/zinc/28/65/45/175286545.db2.gz AEIWTZOUUDSJGJ-GFCCVEGCSA-N 2 2 234.343 2.052 10 0 BEAELP COc1cccc([C@@H](C)[N@H+]2CCC[NH2+]CC2)c1 ZINC000022100340 175286547 /nfs/dbraw/zinc/28/65/47/175286547.db2.gz AEIWTZOUUDSJGJ-GFCCVEGCSA-N 2 2 234.343 2.052 10 0 BEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)C(C)C)c1 ZINC000043025663 175289789 /nfs/dbraw/zinc/28/97/89/175289789.db2.gz UWJAISODSCWBJR-BXUZGUMPSA-N 2 2 236.359 2.424 10 0 BEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)C(C)C)c1 ZINC000043025663 175289791 /nfs/dbraw/zinc/28/97/91/175289791.db2.gz UWJAISODSCWBJR-BXUZGUMPSA-N 2 2 236.359 2.424 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@@H+]2CC[C@@H](C)C2)c1 ZINC000040717493 175294122 /nfs/dbraw/zinc/29/41/22/175294122.db2.gz ZOELWTMJKQLPRC-RISCZKNCSA-N 2 2 234.343 2.037 10 0 BEAELP COc1cccc([C@H](C[NH3+])[N@H+]2CC[C@@H](C)C2)c1 ZINC000040717493 175294124 /nfs/dbraw/zinc/29/41/24/175294124.db2.gz ZOELWTMJKQLPRC-RISCZKNCSA-N 2 2 234.343 2.037 10 0 BEAELP COc1ccccc1[C@@H](C[NH3+])[N@H+](C)CC1CC1 ZINC000020225780 175346283 /nfs/dbraw/zinc/34/62/83/175346283.db2.gz MYJYRISYEWYOTQ-CYBMUJFWSA-N 2 2 234.343 2.037 10 0 BEAELP COc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CC1CC1 ZINC000020225780 175346285 /nfs/dbraw/zinc/34/62/85/175346285.db2.gz MYJYRISYEWYOTQ-CYBMUJFWSA-N 2 2 234.343 2.037 10 0 BEAELP COc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](C)CC1CC1 ZINC000043097793 175354793 /nfs/dbraw/zinc/35/47/93/175354793.db2.gz DRCUNDYVCOMRHP-NHYWBVRUSA-N 2 2 248.370 2.425 10 0 BEAELP COc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](C)CC1CC1 ZINC000043097793 175354794 /nfs/dbraw/zinc/35/47/94/175354794.db2.gz DRCUNDYVCOMRHP-NHYWBVRUSA-N 2 2 248.370 2.425 10 0 BEAELP C[C@@H]([NH3+])[C@H](C)n1cc[nH+]c1-c1ccccc1 ZINC000041053933 176011002 /nfs/dbraw/zinc/01/10/02/176011002.db2.gz OIUCOUUEYTWNLQ-MNOVXSKESA-N 2 2 215.300 2.458 10 0 BEAELP C[C@@H](c1cccs1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027782 176034060 /nfs/dbraw/zinc/03/40/60/176034060.db2.gz GDFXQLRAYRSHNS-UWVGGRQHSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H](c1cccs1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027782 176034062 /nfs/dbraw/zinc/03/40/62/176034062.db2.gz GDFXQLRAYRSHNS-UWVGGRQHSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H](c1ccsc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000050345194 176034940 /nfs/dbraw/zinc/03/49/40/176034940.db2.gz MAOQDTVHBUZJAM-ONGXEEELSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H](c1ccsc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000050345194 176034942 /nfs/dbraw/zinc/03/49/42/176034942.db2.gz MAOQDTVHBUZJAM-ONGXEEELSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000037910269 176109526 /nfs/dbraw/zinc/10/95/26/176109526.db2.gz FHPMANAUHCRLIN-MFKMUULPSA-N 2 2 222.307 2.310 10 0 BEAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000037910269 176109527 /nfs/dbraw/zinc/10/95/27/176109527.db2.gz FHPMANAUHCRLIN-MFKMUULPSA-N 2 2 222.307 2.310 10 0 BEAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccsc1 ZINC000037910451 176110819 /nfs/dbraw/zinc/11/08/19/176110819.db2.gz SDMAHBJAIMFVAY-KOLCDFICSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccsc1 ZINC000037910451 176110820 /nfs/dbraw/zinc/11/08/20/176110820.db2.gz SDMAHBJAIMFVAY-KOLCDFICSA-N 2 2 210.346 2.232 10 0 BEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]CC1CC1 ZINC000037478532 176115647 /nfs/dbraw/zinc/11/56/47/176115647.db2.gz UFLBEKWBKDKIHU-VXGBXAGGSA-N 2 2 210.365 2.249 10 0 BEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2ccccn2)C1 ZINC000036777278 176133918 /nfs/dbraw/zinc/13/39/18/176133918.db2.gz DGHICEPDLNFVCI-UKRRQHHQSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2ccccn2)C1 ZINC000036777278 176133919 /nfs/dbraw/zinc/13/39/19/176133919.db2.gz DGHICEPDLNFVCI-UKRRQHHQSA-N 2 2 247.386 2.421 10 0 BEAELP C[C@@H]1CC[N@H+](CCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000224843042 176170309 /nfs/dbraw/zinc/17/03/09/176170309.db2.gz CVPLDBJXRUJHOR-ZIAGYGMSSA-N 2 2 248.370 2.125 10 0 BEAELP C[C@@H]1CC[N@@H+](CCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000224843042 176170310 /nfs/dbraw/zinc/17/03/10/176170310.db2.gz CVPLDBJXRUJHOR-ZIAGYGMSSA-N 2 2 248.370 2.125 10 0 BEAELP C[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+](C)Cc2ccncc2)C1 ZINC000036775988 176209231 /nfs/dbraw/zinc/20/92/31/176209231.db2.gz FINJLFZPDXWFPH-MRVWCRGKSA-N 2 2 233.359 2.029 10 0 BEAELP C[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+](C)Cc2ccncc2)C1 ZINC000036775988 176209232 /nfs/dbraw/zinc/20/92/32/176209232.db2.gz FINJLFZPDXWFPH-MRVWCRGKSA-N 2 2 233.359 2.029 10 0 BEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000340451418 176277689 /nfs/dbraw/zinc/27/76/89/176277689.db2.gz MKAOWBFJHXWFOY-YINFPWJTSA-N 2 2 248.414 2.351 10 0 BEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000340451418 176277691 /nfs/dbraw/zinc/27/76/91/176277691.db2.gz MKAOWBFJHXWFOY-YINFPWJTSA-N 2 2 248.414 2.351 10 0 BEAELP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCC2)C[N@@H+]1C1CC1 ZINC000120416235 176375159 /nfs/dbraw/zinc/37/51/59/176375159.db2.gz GUFYQJIFEHJQSN-VXGBXAGGSA-N 2 2 222.376 2.391 10 0 BEAELP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCC2)C[N@H+]1C1CC1 ZINC000120416235 176375161 /nfs/dbraw/zinc/37/51/61/176375161.db2.gz GUFYQJIFEHJQSN-VXGBXAGGSA-N 2 2 222.376 2.391 10 0 BEAELP C[C@H](c1ccc(N)cc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC000042288414 177034730 /nfs/dbraw/zinc/03/47/30/177034730.db2.gz YHVADVXWNVVMHP-GFCCVEGCSA-N 2 2 247.386 2.356 10 0 BEAELP C[C@H](c1ccc(N)cc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000042288414 177034731 /nfs/dbraw/zinc/03/47/31/177034731.db2.gz YHVADVXWNVVMHP-GFCCVEGCSA-N 2 2 247.386 2.356 10 0 BEAELP C[C@H](c1ccccc1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC000038524360 177040522 /nfs/dbraw/zinc/04/05/22/177040522.db2.gz LQXLEBQQOBROTO-DGCLKSJQSA-N 2 2 216.328 2.171 10 0 BEAELP C[C@H](c1ccccc1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC000038524360 177040523 /nfs/dbraw/zinc/04/05/23/177040523.db2.gz LQXLEBQQOBROTO-DGCLKSJQSA-N 2 2 216.328 2.171 10 0 BEAELP C[C@H](c1ccco1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539634 177048545 /nfs/dbraw/zinc/04/85/45/177048545.db2.gz CQYOUXHDTANJDL-GHMZBOCLSA-N 2 2 208.305 2.154 10 0 BEAELP C[C@H](c1ccco1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539634 177048547 /nfs/dbraw/zinc/04/85/47/177048547.db2.gz CQYOUXHDTANJDL-GHMZBOCLSA-N 2 2 208.305 2.154 10 0 BEAELP C[C@@H]1C[N@H+]([C@@]2(C[NH3+])CCC[C@H](C)C2)C[C@H](C)O1 ZINC000019430734 177143257 /nfs/dbraw/zinc/14/32/57/177143257.db2.gz STCRXWMGPHTPHX-FQUUOJAGSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@@H]1C[N@@H+]([C@@]2(C[NH3+])CCC[C@H](C)C2)C[C@H](C)O1 ZINC000019430734 177143258 /nfs/dbraw/zinc/14/32/58/177143258.db2.gz STCRXWMGPHTPHX-FQUUOJAGSA-N 2 2 240.391 2.003 10 0 BEAELP C[C@H]1CCCC[C@@H]1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000044417881 177162052 /nfs/dbraw/zinc/16/20/52/177162052.db2.gz LEYIZWFTLCZGQT-MELADBBJSA-N 2 2 224.392 2.497 10 0 BEAELP C[C@H]1CCCC[C@@H]1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000044417881 177162054 /nfs/dbraw/zinc/16/20/54/177162054.db2.gz LEYIZWFTLCZGQT-MELADBBJSA-N 2 2 224.392 2.497 10 0 BEAELP C[C@H]1CC[N@H+](Cc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000235671735 177165520 /nfs/dbraw/zinc/16/55/20/177165520.db2.gz UWNJFJQWNQPCLB-SMDDNHRTSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@H]1CC[N@@H+](Cc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000235671735 177165522 /nfs/dbraw/zinc/16/55/22/177165522.db2.gz UWNJFJQWNQPCLB-SMDDNHRTSA-N 2 2 236.334 2.385 10 0 BEAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C[NH3+])c2ccco2)C1 ZINC000022221271 177314254 /nfs/dbraw/zinc/31/42/54/177314254.db2.gz VVOOBECOVUXKAR-TUAOUCFPSA-N 2 2 222.332 2.257 10 0 BEAELP C[C@H]1C[C@H](C)C[NH+](CC2([NH3+])CCCC2)C1 ZINC000037479583 177358404 /nfs/dbraw/zinc/35/84/04/177358404.db2.gz XQWRZUVXVDLOOQ-RYUDHWBXSA-N 2 2 210.365 2.236 10 0 BEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000323994740 262766934 /nfs/dbraw/zinc/76/69/34/262766934.db2.gz LZRXAUNDRPSIMJ-CHWSQXEVSA-N 2 2 210.365 2.105 10 0 BEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000323994740 262766935 /nfs/dbraw/zinc/76/69/35/262766935.db2.gz LZRXAUNDRPSIMJ-CHWSQXEVSA-N 2 2 210.365 2.105 10 0 BEAELP CC[C@H](C)c1[nH+]c2n(c1C[NH3+])CCCC2 ZINC000536956371 323967281 /nfs/dbraw/zinc/96/72/81/323967281.db2.gz ZYMYDYPXNOHBOB-VIFPVBQESA-N 2 2 207.321 2.192 10 0 BEAELP Cc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)c(C)[nH+]1 ZINC000136488890 488105765 /nfs/dbraw/zinc/10/57/65/488105765.db2.gz WUORZSDBBJFLAO-LLVKDONJSA-N 2 2 235.331 2.010 10 0 BEAELP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)s1 ZINC000308806030 487512252 /nfs/dbraw/zinc/51/22/52/487512252.db2.gz AWCYLRUCCUGRFT-JOYOIKCWSA-N 2 2 224.373 2.232 10 0 BEAELP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)s1 ZINC000308806030 487512260 /nfs/dbraw/zinc/51/22/60/487512260.db2.gz AWCYLRUCCUGRFT-JOYOIKCWSA-N 2 2 224.373 2.232 10 0 BEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000300250016 490553609 /nfs/dbraw/zinc/55/36/09/490553609.db2.gz OASFTTQHRYHCSC-MELADBBJSA-N 2 2 240.391 2.018 10 0 BEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000300250016 490553613 /nfs/dbraw/zinc/55/36/13/490553613.db2.gz OASFTTQHRYHCSC-MELADBBJSA-N 2 2 240.391 2.018 10 0 BEAELP C[C@@H](c1ccccn1)[NH+]1CCC([NH+](C)C)CC1 ZINC000127973102 490567456 /nfs/dbraw/zinc/56/74/56/490567456.db2.gz QZPWMFYNXHXXAS-LBPRGKRZSA-N 2 2 233.359 2.169 10 0 BEAELP CCC[NH2+]C1CCN(c2c[nH+]ccc2C)CC1 ZINC000071413997 535157980 /nfs/dbraw/zinc/15/79/80/535157980.db2.gz VMSHIBYSDGFAOX-UHFFFAOYSA-N 2 2 233.359 2.358 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@@H]1[N@H+](C)C1CCCCC1 ZINC000396721486 583089207 /nfs/dbraw/zinc/08/92/07/583089207.db2.gz UDVHILGGRQWVIK-AAEUAGOBSA-N 2 2 210.365 2.391 10 0 BEAELP C[C@@H]1[NH2+]CCC[C@@H]1[N@@H+](C)C1CCCCC1 ZINC000396721486 583089208 /nfs/dbraw/zinc/08/92/08/583089208.db2.gz UDVHILGGRQWVIK-AAEUAGOBSA-N 2 2 210.365 2.391 10 0 BEAELP C[C@@H](C1CC1)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757132385 582506750 /nfs/dbraw/zinc/50/67/50/582506750.db2.gz QYZFLWZPVYOHKN-SWLSCSKDSA-N 2 2 234.387 2.345 10 0 BEAELP C[C@@H](C1CC1)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757132385 582506751 /nfs/dbraw/zinc/50/67/51/582506751.db2.gz QYZFLWZPVYOHKN-SWLSCSKDSA-N 2 2 234.387 2.345 10 0 BEAELP Cc1cc(C[C@@H]([NH3+])C[NH+](C)C)ccc1Cl ZINC000757154403 586429952 /nfs/dbraw/zinc/42/99/52/586429952.db2.gz YNQUPWRXUJUHEX-LLVKDONJSA-N 2 2 226.751 2.080 10 0 BEAELP C[C@@H]1CC[NH2+][C@H](c2cccc3cc[nH]c32)[C@@H]1[NH3+] ZINC000757219367 586442442 /nfs/dbraw/zinc/44/24/42/586442442.db2.gz WYNNQICSHAZCHA-GAJTVXKRSA-N 2 2 229.327 2.166 10 0 BEAELP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCSC2)C1 ZINC000128244713 590950366 /nfs/dbraw/zinc/95/03/66/590950366.db2.gz KXOBFNGZPJGXKF-QWHCGFSZSA-N 2 2 242.432 2.204 10 0 BEAELP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCSC2)C1 ZINC000128244713 590950369 /nfs/dbraw/zinc/95/03/69/590950369.db2.gz KXOBFNGZPJGXKF-QWHCGFSZSA-N 2 2 242.432 2.204 10 0 BEAELP C[C@H](C[NH2+][C@@H]1CCCSC1)Cn1cc[nH+]c1 ZINC000134805606 591951267 /nfs/dbraw/zinc/95/12/67/591951267.db2.gz ZGIGVEFGTSLZKW-VXGBXAGGSA-N 2 2 239.388 2.004 10 0 BEAELP Cc1ccc(C)c([C@@H](C)[N@H+](C)CC[NH3+])c1 ZINC000054416854 636636638 /nfs/dbraw/zinc/63/66/38/636636638.db2.gz KPBZCWGMYLYODA-GFCCVEGCSA-N 2 2 206.333 2.255 10 0 BEAELP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC[NH3+])c1 ZINC000054416854 636636641 /nfs/dbraw/zinc/63/66/41/636636641.db2.gz KPBZCWGMYLYODA-GFCCVEGCSA-N 2 2 206.333 2.255 10 0 BEAELP CC[N@H+](CC[NH2+]CCc1ccccc1)C1CC1 ZINC000232006826 641227711 /nfs/dbraw/zinc/22/77/11/641227711.db2.gz MXKALJSZERSHIF-UHFFFAOYSA-N 2 2 232.371 2.303 10 0 BEAELP CC[N@@H+](CC[NH2+]CCc1ccccc1)C1CC1 ZINC000232006826 641227717 /nfs/dbraw/zinc/22/77/17/641227717.db2.gz MXKALJSZERSHIF-UHFFFAOYSA-N 2 2 232.371 2.303 10 0 BEAELP [NH3+]C[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000050271161 643672288 /nfs/dbraw/zinc/67/22/88/643672288.db2.gz OBUAQINKWUMVIY-LLVKDONJSA-N 2 2 210.708 2.092 10 0 BEAELP C[C@H](Cn1cc[nH+]c1)[NH2+]CCc1ccccc1 ZINC000035275203 646180033 /nfs/dbraw/zinc/18/00/33/646180033.db2.gz OHTHLENVCBWGRJ-CYBMUJFWSA-N 2 2 229.327 2.104 10 0 BEAELP