smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000047219166 343559750 /nfs/dbraw/zinc/55/97/50/343559750.db2.gz WPRYESSFOMFQJP-NSHDSACASA-N 2 2 228.336 1.014 40 0 BDABLP CSc1ccc(C[N@H+](C)CC[NH3+])cc1 ZINC000054417028 187272604 /nfs/dbraw/zinc/27/26/04/187272604.db2.gz LUHAWPSICSUFLP-UHFFFAOYSA-N 2 2 210.346 1.799 40 0 BDABLP CSc1ccc(C[N@@H+](C)CC[NH3+])cc1 ZINC000054417028 187272606 /nfs/dbraw/zinc/27/26/06/187272606.db2.gz LUHAWPSICSUFLP-UHFFFAOYSA-N 2 2 210.346 1.799 40 0 BDABLP Fc1ccccc1[C@H]1[NH2+]CC[C@H]2[NH+]=CN[C@H]21 ZINC000012375428 181016027 /nfs/dbraw/zinc/01/60/27/181016027.db2.gz CUGLGYBRHHCWRK-IJLUTSLNSA-N 2 2 219.263 1.229 40 0 BDABLP [NH3+]CCNc1[nH+]ncc(N2CCCC2)c1Cl ZINC000217513997 181398568 /nfs/dbraw/zinc/39/85/68/181398568.db2.gz NPLVVDLGLXGWLJ-UHFFFAOYSA-N 2 2 241.726 1.101 40 0 BDABLP c1cn(-c2cccc([C@@H]3CCC[NH2+]3)n2)c[nH+]1 ZINC000072355927 183361280 /nfs/dbraw/zinc/36/12/80/183361280.db2.gz ARJGYTMYIJXZQW-JTQLQIEISA-N 2 2 214.272 1.692 40 0 BDABLP CCCn1cc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000116912070 169618404 /nfs/dbraw/zinc/61/84/04/169618404.db2.gz KNUACXRSULFYBF-UHFFFAOYSA-N 2 2 224.352 1.334 40 0 BDABLP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccncc1)C2 ZINC000096241248 384447480 /nfs/dbraw/zinc/44/74/80/384447480.db2.gz PAYRGVYUQFNYRC-UONOGXRCSA-N 2 2 249.333 1.605 40 0 BDABLP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000096241248 384447484 /nfs/dbraw/zinc/44/74/84/384447484.db2.gz PAYRGVYUQFNYRC-UONOGXRCSA-N 2 2 249.333 1.605 40 0 BDABLP c1cn(C[C@@H]2COc3ccccc3C[NH2+]2)c[nH+]1 ZINC000019375590 384518161 /nfs/dbraw/zinc/51/81/61/384518161.db2.gz YFVQBQZOORMJEK-GFCCVEGCSA-N 2 2 229.283 1.434 40 0 BDABLP [NH3+]C[C@@H](C1CCCCC1)[NH+]1CCOCC1 ZINC000022172199 384738260 /nfs/dbraw/zinc/73/82/60/384738260.db2.gz MNRJTKDARAKRQA-LBPRGKRZSA-N 2 2 212.337 1.226 40 0 BDABLP Cc1nc(N2CCC([NH3+])CC2)c2c([nH+]1)CCC2 ZINC000096516886 385256193 /nfs/dbraw/zinc/25/61/93/385256193.db2.gz YNPICGMSUYHYSZ-UHFFFAOYSA-N 2 2 232.331 1.201 40 0 BDABLP CCc1cc(N2CC[C@@H]([NH3+])C2)nc(C2CC2)[nH+]1 ZINC000096516990 385256571 /nfs/dbraw/zinc/25/65/71/385256571.db2.gz ZJNBFODVSDFLOJ-SNVBAGLBSA-N 2 2 232.331 1.454 40 0 BDABLP c1cn(-c2ccc(C[C@@H]3CC[NH2+]C3)cn2)c[nH+]1 ZINC000257268165 385757386 /nfs/dbraw/zinc/75/73/86/385757386.db2.gz MKMMOANZWPIPLY-LBPRGKRZSA-N 2 2 228.299 1.419 40 0 BDABLP CCC[C@@H]([NH3+])C[N@H+](C)CCc1ccncc1 ZINC000048260197 386077963 /nfs/dbraw/zinc/07/79/63/386077963.db2.gz ORCQCUYNGLIOBO-CYBMUJFWSA-N 2 2 221.348 1.683 40 0 BDABLP CCC[C@@H]([NH3+])C[N@@H+](C)CCc1ccncc1 ZINC000048260197 386077970 /nfs/dbraw/zinc/07/79/70/386077970.db2.gz ORCQCUYNGLIOBO-CYBMUJFWSA-N 2 2 221.348 1.683 40 0 BDABLP Cc1cc[nH+]cc1N(C)CC1CC[NH2+]CC1 ZINC000242548646 388399437 /nfs/dbraw/zinc/39/94/37/388399437.db2.gz LRFSDVOCAZSVMF-UHFFFAOYSA-N 2 2 219.332 1.826 40 0 BDABLP Cc1cc[nH+]cc1N(C)C[C@H]1CCC[NH2+]1 ZINC000242400332 388580286 /nfs/dbraw/zinc/58/02/86/388580286.db2.gz AUPAGPRASRBFRG-LLVKDONJSA-N 2 2 205.305 1.578 40 0 BDABLP Cn1c[nH+]cc1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000257277355 388698687 /nfs/dbraw/zinc/69/86/87/388698687.db2.gz NXQOJBZMTDYSES-UHFFFAOYSA-N 2 2 242.326 1.949 40 0 BDABLP CCOC(=O)CC[NH2+]CC[NH+]1CCCCC1 ZINC000047219005 170209234 /nfs/dbraw/zinc/20/92/34/170209234.db2.gz MUHJIWRBFQKCLN-UHFFFAOYSA-N 2 2 228.336 1.015 40 0 BDABLP C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H]([NH3+])C1 ZINC000082952758 173183871 /nfs/dbraw/zinc/18/38/71/173183871.db2.gz LUHOAPONKQKMFS-WDEREUQCSA-N 2 2 210.708 1.696 40 0 BDABLP C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H]([NH3+])C1 ZINC000082952758 173183872 /nfs/dbraw/zinc/18/38/72/173183872.db2.gz LUHOAPONKQKMFS-WDEREUQCSA-N 2 2 210.708 1.696 40 0 BDABLP COc1ccc(CC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000043323982 175091529 /nfs/dbraw/zinc/09/15/29/175091529.db2.gz OPGHXKVZVJJUIO-CYBMUJFWSA-N 2 2 234.343 1.579 40 0 BDABLP COc1ccc(C[N@H+](CC[NH3+])C2CC2)cc1 ZINC000032013709 175097104 /nfs/dbraw/zinc/09/71/04/175097104.db2.gz HVDSACFDLJOIPQ-UHFFFAOYSA-N 2 2 220.316 1.618 40 0 BDABLP COc1ccc(C[N@@H+](CC[NH3+])C2CC2)cc1 ZINC000032013709 175097105 /nfs/dbraw/zinc/09/71/05/175097105.db2.gz HVDSACFDLJOIPQ-UHFFFAOYSA-N 2 2 220.316 1.618 40 0 BDABLP COc1cccc([C@@H]2C[N@H+](C)C[C@@H]2[NH3+])c1 ZINC000217661941 175290742 /nfs/dbraw/zinc/29/07/42/175290742.db2.gz CVUZDGAQAXALIR-RYUDHWBXSA-N 2 2 206.289 1.052 40 0 BDABLP COc1cccc([C@@H]2C[N@@H+](C)C[C@@H]2[NH3+])c1 ZINC000217661941 175290743 /nfs/dbraw/zinc/29/07/43/175290743.db2.gz CVUZDGAQAXALIR-RYUDHWBXSA-N 2 2 206.289 1.052 40 0 BDABLP COc1ccccc1[C@H]1C[N@H+](C)C[C@H]1[NH3+] ZINC000082378579 175355301 /nfs/dbraw/zinc/35/53/01/175355301.db2.gz RBSOSCGVVTWKBK-GHMZBOCLSA-N 2 2 206.289 1.052 40 0 BDABLP COc1ccccc1[C@H]1C[N@@H+](C)C[C@H]1[NH3+] ZINC000082378579 175355302 /nfs/dbraw/zinc/35/53/02/175355302.db2.gz RBSOSCGVVTWKBK-GHMZBOCLSA-N 2 2 206.289 1.052 40 0 BDABLP C[C@H](c1nccs1)[NH+]1CCC([NH3+])CC1 ZINC000043220352 177054637 /nfs/dbraw/zinc/05/46/37/177054637.db2.gz MADQHCCOMNNOEM-MRVPVSSYSA-N 2 2 211.334 1.627 40 0 BDABLP COc1ccc(C[N@@H+]2CCC[NH2+]CC2)c(C)c1 ZINC000096523653 187289149 /nfs/dbraw/zinc/28/91/49/187289149.db2.gz LYFFUPSWQPZWRC-UHFFFAOYSA-N 2 2 234.343 1.799 40 0 BDABLP COc1ccc(C[N@H+]2CCC[NH2+]CC2)c(C)c1 ZINC000096523653 187289151 /nfs/dbraw/zinc/28/91/51/187289151.db2.gz LYFFUPSWQPZWRC-UHFFFAOYSA-N 2 2 234.343 1.799 40 0 BDABLP Cc1nn(C)cc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000096523673 180373943 /nfs/dbraw/zinc/37/39/43/180373943.db2.gz RYKCPIYCAVLYOD-LBPRGKRZSA-N 2 2 236.363 1.160 40 0 BDABLP Cc1nn(C)cc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000096523673 180373946 /nfs/dbraw/zinc/37/39/46/180373946.db2.gz RYKCPIYCAVLYOD-LBPRGKRZSA-N 2 2 236.363 1.160 40 0 BDABLP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000095097556 181391834 /nfs/dbraw/zinc/39/18/34/181391834.db2.gz GFSVKDOYAMYRHF-LBPRGKRZSA-N 2 2 205.305 1.567 40 0 BDABLP [NH3+]CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000095097556 181391836 /nfs/dbraw/zinc/39/18/36/181391836.db2.gz GFSVKDOYAMYRHF-LBPRGKRZSA-N 2 2 205.305 1.567 40 0 BDABLP [NH3+]C[C@@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000035677049 384089110 /nfs/dbraw/zinc/08/91/10/384089110.db2.gz GVWFYJNEJZYKID-MRVPVSSYSA-N 2 2 233.084 1.547 40 0 BDABLP c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1[C@H]2[NH+]1CCOCC1 ZINC000096251704 384445126 /nfs/dbraw/zinc/44/51/26/384445126.db2.gz BJCZPLYUPKPHRG-KKUMJFAQSA-N 2 2 244.338 1.377 40 0 BDABLP Fc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000072203806 385058871 /nfs/dbraw/zinc/05/88/71/385058871.db2.gz KFWLYOJLJJSZDN-LBPRGKRZSA-N 2 2 208.280 1.667 40 0 BDABLP Cc1noc(C)c1CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000096523892 385270641 /nfs/dbraw/zinc/27/06/41/385270641.db2.gz RSHWTQRJWFEHSQ-MRVPVSSYSA-N 2 2 211.309 1.113 40 0 BDABLP Cc1noc(C)c1CC[N@H+](C)C[C@@H](C)[NH3+] ZINC000096523892 385270649 /nfs/dbraw/zinc/27/06/49/385270649.db2.gz RSHWTQRJWFEHSQ-MRVPVSSYSA-N 2 2 211.309 1.113 40 0 BDABLP C[NH2+][C@H](C[NH3+])c1ccccc1Br ZINC000050269919 385467198 /nfs/dbraw/zinc/46/71/98/385467198.db2.gz GPFZOTUSZMDDIF-SECBINFHSA-N 2 2 229.121 1.668 40 0 BDABLP C[N@H+](CC[NH3+])Cc1ccc(Br)cc1 ZINC000096319875 385912224 /nfs/dbraw/zinc/91/22/24/385912224.db2.gz OCCHFDJIUCHFOJ-UHFFFAOYSA-N 2 2 243.148 1.840 40 0 BDABLP C[N@@H+](CC[NH3+])Cc1ccc(Br)cc1 ZINC000096319875 385912227 /nfs/dbraw/zinc/91/22/27/385912227.db2.gz OCCHFDJIUCHFOJ-UHFFFAOYSA-N 2 2 243.148 1.840 40 0 BDABLP [NH3+][C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000050242955 387932686 /nfs/dbraw/zinc/93/26/86/387932686.db2.gz RFZQQVNYGMLHGX-LLVKDONJSA-N 2 2 240.734 1.752 40 0 BDABLP [NH3+][C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000050242955 387932690 /nfs/dbraw/zinc/93/26/90/387932690.db2.gz RFZQQVNYGMLHGX-LLVKDONJSA-N 2 2 240.734 1.752 40 0 BDABLP C[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000050269826 387954647 /nfs/dbraw/zinc/95/46/47/387954647.db2.gz SMZZXIQFAQJFDI-VIFPVBQESA-N 2 2 229.121 1.668 40 0 BDABLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000242701701 388400838 /nfs/dbraw/zinc/40/08/38/388400838.db2.gz WKYAMPGIQNSEHE-AAEUAGOBSA-N 2 2 219.332 1.956 40 0 BDABLP C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000242701701 388400839 /nfs/dbraw/zinc/40/08/39/388400839.db2.gz WKYAMPGIQNSEHE-AAEUAGOBSA-N 2 2 219.332 1.956 40 0 BDABLP CC[C@H](C)[C@H]([NH3+])C[N@H+](C)CCc1ccncc1 ZINC000039794735 171396970 /nfs/dbraw/zinc/39/69/70/171396970.db2.gz MSXXWKCWHXGNDA-GXTWGEPZSA-N 2 2 235.375 1.929 40 0 BDABLP CC[C@H](C)[C@H]([NH3+])C[N@@H+](C)CCc1ccncc1 ZINC000039794735 171396972 /nfs/dbraw/zinc/39/69/72/171396972.db2.gz MSXXWKCWHXGNDA-GXTWGEPZSA-N 2 2 235.375 1.929 40 0 BDABLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CO2)C1 ZINC000096510524 172028775 /nfs/dbraw/zinc/02/87/75/172028775.db2.gz LBACWQHVIOANBO-NWDGAFQWSA-N 2 2 235.331 1.481 40 0 BDABLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000096510524 172028777 /nfs/dbraw/zinc/02/87/77/172028777.db2.gz LBACWQHVIOANBO-NWDGAFQWSA-N 2 2 235.331 1.481 40 0 BDABLP C[N@@H+]1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000257312721 173035855 /nfs/dbraw/zinc/03/58/55/173035855.db2.gz UPGQRBODTWHSLA-LLVKDONJSA-N 2 2 229.287 1.429 40 0 BDABLP C[N@H+]1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000257312721 173035857 /nfs/dbraw/zinc/03/58/57/173035857.db2.gz UPGQRBODTWHSLA-LLVKDONJSA-N 2 2 229.287 1.429 40 0 BDABLP COc1ccccc1CCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000096523488 175322359 /nfs/dbraw/zinc/32/23/59/175322359.db2.gz AKFUJDRKBJRRSZ-CYBMUJFWSA-N 2 2 234.343 1.661 40 0 BDABLP COc1ccccc1CCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000096523488 175322361 /nfs/dbraw/zinc/32/23/61/175322361.db2.gz AKFUJDRKBJRRSZ-CYBMUJFWSA-N 2 2 234.343 1.661 40 0 BDABLP CC(C)[NH+]1CCC2(CC1)[NH2+]CCn1cccc12 ZINC000032500427 187230223 /nfs/dbraw/zinc/23/02/23/187230223.db2.gz ZRXNZNKZBNAMQR-UHFFFAOYSA-N 2 2 233.359 1.791 40 0 BDABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1cccc(Cl)c1 ZINC000022074865 136278156 /nfs/dbraw/zinc/27/81/56/136278156.db2.gz HAJZPFSRNPYYRZ-SNVBAGLBSA-N 2 2 242.750 1.400 40 0 BDABLP [NH3+]CC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000041056956 181390708 /nfs/dbraw/zinc/39/07/08/181390708.db2.gz BIFMKOHIDLBJBB-UHFFFAOYSA-N 2 2 208.280 1.749 40 0 BDABLP [NH3+]CC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000041056956 181390710 /nfs/dbraw/zinc/39/07/10/181390710.db2.gz BIFMKOHIDLBJBB-UHFFFAOYSA-N 2 2 208.280 1.749 40 0 BDABLP [NH3+][C@@H](C[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000110763467 369977803 /nfs/dbraw/zinc/97/78/03/369977803.db2.gz GFVQRGJVAZDQEI-STQMWFEESA-N 2 2 220.316 1.143 40 0 BDABLP [NH3+][C@@H](C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000110763467 369977807 /nfs/dbraw/zinc/97/78/07/369977807.db2.gz GFVQRGJVAZDQEI-STQMWFEESA-N 2 2 220.316 1.143 40 0 BDABLP OCC[NH2+]CC[NH2+]Cc1cccc(Cl)c1 ZINC000023263505 183078235 /nfs/dbraw/zinc/07/82/35/183078235.db2.gz QSPQPDXQYALCRS-UHFFFAOYSA-N 2 2 228.723 1.012 40 0 BDABLP OCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904566 183079369 /nfs/dbraw/zinc/07/93/69/183079369.db2.gz LFAKEOCEKASBCZ-AWEZNQCLSA-N 2 2 234.343 1.233 40 0 BDABLP OCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904566 183079372 /nfs/dbraw/zinc/07/93/72/183079372.db2.gz LFAKEOCEKASBCZ-AWEZNQCLSA-N 2 2 234.343 1.233 40 0 BDABLP C[NH+](C)CC(C[NH+](C)C)C(=O)C1CCCCC1 ZINC000001607752 383912735 /nfs/dbraw/zinc/91/27/35/383912735.db2.gz PVCUILYNZQXZAR-UHFFFAOYSA-N 2 2 240.391 1.875 40 0 BDABLP [NH3+]C[C@H](c1cccnc1)[NH+]1CCCCCC1 ZINC000022171653 383991195 /nfs/dbraw/zinc/99/11/95/383991195.db2.gz UAAPPVMYDVRVQA-CYBMUJFWSA-N 2 2 219.332 1.957 40 0 BDABLP CN(C)c1cc([C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000072344139 384208741 /nfs/dbraw/zinc/20/87/41/384208741.db2.gz SJBZEOCNDLWMEO-NSHDSACASA-N 2 2 205.305 1.615 40 0 BDABLP c1cn(-c2cncc([C@@H]3CCC[NH2+]3)n2)c[nH+]1 ZINC000072355925 384211313 /nfs/dbraw/zinc/21/13/13/384211313.db2.gz ZJMUEANJXBMHLE-VIFPVBQESA-N 2 2 215.260 1.087 40 0 BDABLP C[N@H+](Cc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000083318805 384288990 /nfs/dbraw/zinc/28/89/90/384288990.db2.gz KADJOZPZGAUREF-UHFFFAOYSA-N 2 2 248.370 1.575 40 0 BDABLP C[N@@H+](Cc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000083318805 384288994 /nfs/dbraw/zinc/28/89/94/384288994.db2.gz KADJOZPZGAUREF-UHFFFAOYSA-N 2 2 248.370 1.575 40 0 BDABLP [NH3+]C[C@@H](c1cccc(F)c1)[NH+]1CCCC1 ZINC000019259837 384661746 /nfs/dbraw/zinc/66/17/46/384661746.db2.gz GDHHNWNPIHRNHF-LBPRGKRZSA-N 2 2 208.280 1.921 40 0 BDABLP [NH3+][C@@H]1CCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000096517002 385254719 /nfs/dbraw/zinc/25/47/19/385254719.db2.gz UUSMPJPFXRDPOK-LLVKDONJSA-N 2 2 244.342 1.769 40 0 BDABLP CN(C)c1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000096523548 385267172 /nfs/dbraw/zinc/26/71/72/385267172.db2.gz OGPVBHSXTKXYMV-CYBMUJFWSA-N 2 2 233.359 1.676 40 0 BDABLP CN(C)c1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000096523548 385267181 /nfs/dbraw/zinc/26/71/81/385267181.db2.gz OGPVBHSXTKXYMV-CYBMUJFWSA-N 2 2 233.359 1.676 40 0 BDABLP [NH3+]C[C@@H](c1ccccn1)[NH+]1CCCCCC1 ZINC000019395042 386958970 /nfs/dbraw/zinc/95/89/70/386958970.db2.gz LQKHGGQOGXXYGW-ZDUSSCGKSA-N 2 2 219.332 1.957 40 0 BDABLP CC(C)n1cc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000163969400 387853073 /nfs/dbraw/zinc/85/30/73/387853073.db2.gz GOEGFONHUXPOFS-UHFFFAOYSA-N 2 2 224.352 1.505 40 0 BDABLP CCCCc1nc(N2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000008731078 132319220 /nfs/dbraw/zinc/31/92/20/132319220.db2.gz XJHGQWBGWHPOKB-UHFFFAOYSA-N 2 2 234.347 1.537 40 0 BDABLP CC[NH+](CC)CC[NH2+]C[C@@H]1CCCOC1 ZINC000038045934 169779791 /nfs/dbraw/zinc/77/97/91/169779791.db2.gz RPEIOYHLXUHADF-LBPRGKRZSA-N 2 2 214.353 1.344 40 0 BDABLP CCn1c2ccccc2[nH+]c1N1CCC[C@H]([NH3+])C1 ZINC000043220237 172145990 /nfs/dbraw/zinc/14/59/90/172145990.db2.gz ZRYWOHWETUYIKS-NSHDSACASA-N 2 2 244.342 1.984 40 0 BDABLP C[N@@H+]1CCC[C@@H](Oc2cc[nH+]cc2N)C1 ZINC000096526674 173022553 /nfs/dbraw/zinc/02/25/53/173022553.db2.gz DALQVUQLIZHRTO-SECBINFHSA-N 2 2 207.277 1.137 40 0 BDABLP C[N@H+]1CCC[C@@H](Oc2cc[nH+]cc2N)C1 ZINC000096526674 173022555 /nfs/dbraw/zinc/02/25/55/173022555.db2.gz DALQVUQLIZHRTO-SECBINFHSA-N 2 2 207.277 1.137 40 0 BDABLP CSCC[C@H]([NH3+])C[NH+]1CCCCC1 ZINC000039794782 349536905 /nfs/dbraw/zinc/53/69/05/349536905.db2.gz NBUHLSCIHHRHFA-JTQLQIEISA-N 2 2 202.367 1.553 40 0 BDABLP C[NH2+][C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000050269799 259369990 /nfs/dbraw/zinc/36/99/90/259369990.db2.gz FDFWOTYUZMZRFR-SECBINFHSA-N 2 2 218.222 1.925 40 0 BDABLP Cc1cccc(C[N@@H+]2C[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000096081383 179084267 /nfs/dbraw/zinc/08/42/67/179084267.db2.gz ZPFYSPGYMLEIPF-KGLIPLIRSA-N 2 2 216.328 1.789 40 0 BDABLP Cc1cccc(C[N@H+]2C[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000096081383 179084269 /nfs/dbraw/zinc/08/42/69/179084269.db2.gz ZPFYSPGYMLEIPF-KGLIPLIRSA-N 2 2 216.328 1.789 40 0 BDABLP COc1cc(OC)c2[nH+]ccc(NCC[NH3+])c2c1 ZINC000222681995 188009543 /nfs/dbraw/zinc/00/95/43/188009543.db2.gz SJMWIGVSFMVEIL-UHFFFAOYSA-N 2 2 247.298 1.623 40 0 BDABLP Fc1ccccc1[C@H]1[NH2+]CC[C@H]2[NH+]=CN[C@@H]21 ZINC000012375426 181016004 /nfs/dbraw/zinc/01/60/04/181016004.db2.gz CUGLGYBRHHCWRK-UTUOFQBUSA-N 2 2 219.263 1.229 40 0 BDABLP c1cc(OCCOc2cc[nH+]cc2)cc[nH+]1 ZINC000038548871 183358598 /nfs/dbraw/zinc/35/85/98/183358598.db2.gz RRCWJXNJBQORGX-UHFFFAOYSA-N 2 2 216.240 1.934 40 0 BDABLP Cn1cc[nH+]c1C[C@@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000072381942 384220028 /nfs/dbraw/zinc/22/00/28/384220028.db2.gz ICIQXDBUKQZMMQ-LBPRGKRZSA-N 2 2 249.358 1.464 40 0 BDABLP Cn1cc[nH+]c1C[C@@H]1CC[N@H+](C2CCOCC2)C1 ZINC000072381942 384220036 /nfs/dbraw/zinc/22/00/36/384220036.db2.gz ICIQXDBUKQZMMQ-LBPRGKRZSA-N 2 2 249.358 1.464 40 0 BDABLP c1ccc(NC[C@H]2CCC[C@]3(CC[NH2+]C3)O2)[nH+]c1 ZINC000096217149 384442776 /nfs/dbraw/zinc/44/27/76/384442776.db2.gz AOAVDBPSBLKJRZ-TZMCWYRMSA-N 2 2 247.342 1.795 40 0 BDABLP c1csc(C[N@@H+]2CC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000107254783 384959360 /nfs/dbraw/zinc/95/93/60/384959360.db2.gz QJEQDJYDJNMIBW-NXEZZACHSA-N 2 2 223.345 1.327 40 0 BDABLP c1csc(C[N@H+]2CC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000107254783 384959367 /nfs/dbraw/zinc/95/93/67/384959367.db2.gz QJEQDJYDJNMIBW-NXEZZACHSA-N 2 2 223.345 1.327 40 0 BDABLP CC[C@@H]([NH3+])CN(C)c1cn[nH+]c2ccccc21 ZINC000095097474 385427618 /nfs/dbraw/zinc/42/76/18/385427618.db2.gz CROBULOUGXKZIL-SNVBAGLBSA-N 2 2 230.315 1.803 40 0 BDABLP C[C@H]1CCCN(c2cc[nH+]cc2C[NH3+])C1 ZINC000088114699 386824525 /nfs/dbraw/zinc/82/45/25/386824525.db2.gz UISRPZWNRQHEQU-JTQLQIEISA-N 2 2 205.305 1.777 40 0 BDABLP CC1CCN(c2cc[nH+]cc2C[NH3+])CC1 ZINC000088114624 386826380 /nfs/dbraw/zinc/82/63/80/386826380.db2.gz MQSUWZMTWYTINJ-UHFFFAOYSA-N 2 2 205.305 1.777 40 0 BDABLP c1c(CN2CCC[NH2+]CC2)[nH+]c2ccccn12 ZINC000019395465 386959674 /nfs/dbraw/zinc/95/96/74/386959674.db2.gz GMFPENFQEZFGQU-UHFFFAOYSA-N 2 2 230.315 1.130 40 0 BDABLP C[NH2+][C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000050269868 387955626 /nfs/dbraw/zinc/95/56/26/387955626.db2.gz RBMGQIGSLPNJAN-VIFPVBQESA-N 2 2 247.111 1.807 40 0 BDABLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000095067835 388590982 /nfs/dbraw/zinc/59/09/82/388590982.db2.gz RGCSVCJROHGGOU-CYBMUJFWSA-N 2 2 204.317 1.837 40 0 BDABLP [NH3+][C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1CO ZINC000252486093 388653196 /nfs/dbraw/zinc/65/31/96/388653196.db2.gz FBGLDEKTMMVMJS-KBPBESRZSA-N 2 2 234.343 1.013 40 0 BDABLP [NH3+][C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1CO ZINC000252486093 388653199 /nfs/dbraw/zinc/65/31/99/388653199.db2.gz FBGLDEKTMMVMJS-KBPBESRZSA-N 2 2 234.343 1.013 40 0 BDABLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096071566 173061409 /nfs/dbraw/zinc/06/14/09/173061409.db2.gz NMFWIHPLHLUGLM-HNNXBMFYSA-N 2 2 245.370 1.999 40 0 BDABLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096071566 173061410 /nfs/dbraw/zinc/06/14/10/173061410.db2.gz NMFWIHPLHLUGLM-HNNXBMFYSA-N 2 2 245.370 1.999 40 0 BDABLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096071566 173061412 /nfs/dbraw/zinc/06/14/12/173061412.db2.gz NMFWIHPLHLUGLM-HNNXBMFYSA-N 2 2 245.370 1.999 40 0 BDABLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096071566 173061415 /nfs/dbraw/zinc/06/14/15/173061415.db2.gz NMFWIHPLHLUGLM-HNNXBMFYSA-N 2 2 245.370 1.999 40 0 BDABLP Clc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000072202933 487994814 /nfs/dbraw/zinc/99/48/14/487994814.db2.gz WNAHYHMDBDUZRE-LLVKDONJSA-N 2 2 210.708 1.792 40 0 BDABLP COC(=O)C[C@@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000047219167 343559824 /nfs/dbraw/zinc/55/98/24/343559824.db2.gz WPRYESSFOMFQJP-LLVKDONJSA-N 2 2 228.336 1.014 40 0 BDABLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC000038538874 343783503 /nfs/dbraw/zinc/78/35/03/343783503.db2.gz KNQLJUDPCORRRM-CYBMUJFWSA-N 2 2 204.317 1.836 40 0 BDABLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC000038538874 343783504 /nfs/dbraw/zinc/78/35/04/343783504.db2.gz KNQLJUDPCORRRM-CYBMUJFWSA-N 2 2 204.317 1.836 40 0 BDABLP [NH3+]C1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000052709500 181344553 /nfs/dbraw/zinc/34/45/53/181344553.db2.gz SDVCVMKQMDWZSR-UHFFFAOYSA-N 2 2 225.723 1.658 40 0 BDABLP [NH3+][C@@H](C[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000096523468 385269813 /nfs/dbraw/zinc/26/98/13/385269813.db2.gz GFVQRGJVAZDQEI-OLZOCXBDSA-N 2 2 220.316 1.143 40 0 BDABLP [NH3+][C@@H](C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000096523468 385269817 /nfs/dbraw/zinc/26/98/17/385269817.db2.gz GFVQRGJVAZDQEI-OLZOCXBDSA-N 2 2 220.316 1.143 40 0 BDABLP Cc1noc(C)c1CC[N@@H+](C)C[C@H](C)[NH3+] ZINC000096523893 385270572 /nfs/dbraw/zinc/27/05/72/385270572.db2.gz RSHWTQRJWFEHSQ-QMMMGPOBSA-N 2 2 211.309 1.113 40 0 BDABLP Cc1noc(C)c1CC[N@H+](C)C[C@H](C)[NH3+] ZINC000096523893 385270580 /nfs/dbraw/zinc/27/05/80/385270580.db2.gz RSHWTQRJWFEHSQ-QMMMGPOBSA-N 2 2 211.309 1.113 40 0 BDABLP CSCC[C@H]([NH3+])C[NH+]1CCSCC1 ZINC000096523865 385271026 /nfs/dbraw/zinc/27/10/26/385271026.db2.gz XJHMNKQFVRZWDU-VIFPVBQESA-N 2 2 220.407 1.116 40 0 BDABLP Nc1c[nH+]ccc1OC1CC[NH+](C2CC2)CC1 ZINC000096526679 385280895 /nfs/dbraw/zinc/28/08/95/385280895.db2.gz IQFQFUYOKGCYCC-UHFFFAOYSA-N 2 2 233.315 1.669 40 0 BDABLP CCOc1cccc([C@H]2C[N@H+](C)C[C@H]2[NH3+])c1 ZINC000252515776 388654111 /nfs/dbraw/zinc/65/41/11/388654111.db2.gz NGXVBQRXWPZTTC-CHWSQXEVSA-N 2 2 220.316 1.442 40 0 BDABLP CCOc1cccc([C@H]2C[N@@H+](C)C[C@H]2[NH3+])c1 ZINC000252515776 388654113 /nfs/dbraw/zinc/65/41/13/388654113.db2.gz NGXVBQRXWPZTTC-CHWSQXEVSA-N 2 2 220.316 1.442 40 0 BDABLP C[N@@H+]1CCC[C@H](Oc2cc[nH+]cc2N)C1 ZINC000096526672 173045896 /nfs/dbraw/zinc/04/58/96/173045896.db2.gz DALQVUQLIZHRTO-VIFPVBQESA-N 2 2 207.277 1.137 40 0 BDABLP C[N@H+]1CCC[C@H](Oc2cc[nH+]cc2N)C1 ZINC000096526672 173045897 /nfs/dbraw/zinc/04/58/97/173045897.db2.gz DALQVUQLIZHRTO-VIFPVBQESA-N 2 2 207.277 1.137 40 0 BDABLP C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]12 ZINC000248111887 173140506 /nfs/dbraw/zinc/14/05/06/173140506.db2.gz HMPCVUFHIWQIKI-ZIAGYGMSSA-N 2 2 216.328 1.622 40 0 BDABLP C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]12 ZINC000248111887 173140508 /nfs/dbraw/zinc/14/05/08/173140508.db2.gz HMPCVUFHIWQIKI-ZIAGYGMSSA-N 2 2 216.328 1.622 40 0 BDABLP COCC[N@@H+]1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257228006 174308842 /nfs/dbraw/zinc/30/88/42/174308842.db2.gz FRYLWTCHNBKDDM-NSHDSACASA-N 2 2 223.320 1.544 40 0 BDABLP COCC[N@H+]1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257228006 174308844 /nfs/dbraw/zinc/30/88/44/174308844.db2.gz FRYLWTCHNBKDDM-NSHDSACASA-N 2 2 223.320 1.544 40 0 BDABLP COc1ccc([NH2+]C[C@@H]2C[C@H]2C[NH3+])cc1 ZINC000096509431 175151309 /nfs/dbraw/zinc/15/13/09/175151309.db2.gz AYYUYSZJLIVLND-UWVGGRQHSA-N 2 2 206.289 1.702 40 0 BDABLP COc1ccc([NH2+]C[C@H]2C[C@H]2C[NH3+])cc1 ZINC000096509432 175151779 /nfs/dbraw/zinc/15/17/79/175151779.db2.gz AYYUYSZJLIVLND-VHSXEESVSA-N 2 2 206.289 1.702 40 0 BDABLP COc1ccc([C@H]2C[N@H+](C)C[C@H]2[NH3+])cc1 ZINC000082378577 175195964 /nfs/dbraw/zinc/19/59/64/175195964.db2.gz SQPBLMCZKBMQOF-VXGBXAGGSA-N 2 2 206.289 1.052 40 0 BDABLP COc1ccc([C@H]2C[N@@H+](C)C[C@H]2[NH3+])cc1 ZINC000082378577 175195966 /nfs/dbraw/zinc/19/59/66/175195966.db2.gz SQPBLMCZKBMQOF-VXGBXAGGSA-N 2 2 206.289 1.052 40 0 BDABLP COc1cccc(C[N@H+](CC[NH3+])C(C)C)c1 ZINC000032014354 175256459 /nfs/dbraw/zinc/25/64/59/175256459.db2.gz CXEXDVLKIQFKRQ-UHFFFAOYSA-N 2 2 222.332 1.864 40 0 BDABLP COc1cccc(C[N@@H+](CC[NH3+])C(C)C)c1 ZINC000032014354 175256461 /nfs/dbraw/zinc/25/64/61/175256461.db2.gz CXEXDVLKIQFKRQ-UHFFFAOYSA-N 2 2 222.332 1.864 40 0 BDABLP Fc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000072202925 487995207 /nfs/dbraw/zinc/99/52/07/487995207.db2.gz YDAFAKBGAQYRFL-LBPRGKRZSA-N 2 2 208.280 1.667 40 0 BDABLP Cc1cc(N(C)C)cc([C@H]2C[NH2+]CCO2)[nH+]1 ZINC000257198066 178094985 /nfs/dbraw/zinc/09/49/85/178094985.db2.gz RNTIDQYXOLPLQR-GFCCVEGCSA-N 2 2 221.304 1.117 40 0 BDABLP Cc1cc(N(C)C)nc(CC2CC[NH+](C)CC2)[nH+]1 ZINC000072370194 178097306 /nfs/dbraw/zinc/09/73/06/178097306.db2.gz GXQFIHKKUSCJDR-UHFFFAOYSA-N 2 2 248.374 1.735 40 0 BDABLP Cc1ccc(C(=O)C(C[NH+](C)C)C[NH+](C)C)cc1 ZINC000001572429 178371508 /nfs/dbraw/zinc/37/15/08/178371508.db2.gz HGUJNVFILDVAEI-UHFFFAOYSA-N 2 2 248.370 1.917 40 0 BDABLP Cc1cccc(C(C[NH+](C)C)C[NH+](C)C)n1 ZINC000001717676 342710898 /nfs/dbraw/zinc/71/08/98/342710898.db2.gz YCKGKTZOVSVGOE-UHFFFAOYSA-N 2 2 221.348 1.597 40 0 BDABLP C[C@H]([NH3+])CN(C)c1cn[nH+]c2ccccc21 ZINC000082592537 259323181 /nfs/dbraw/zinc/32/31/81/259323181.db2.gz APOMUAPISQOARN-VIFPVBQESA-N 2 2 216.288 1.413 40 0 BDABLP C[NH2+][C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000050269798 259369969 /nfs/dbraw/zinc/36/99/69/259369969.db2.gz FDFWOTYUZMZRFR-VIFPVBQESA-N 2 2 218.222 1.925 40 0 BDABLP C[NH2+][C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000050269830 259369976 /nfs/dbraw/zinc/36/99/76/259369976.db2.gz RLWOABABNDOCBI-VIFPVBQESA-N 2 2 218.222 1.925 40 0 BDABLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1C ZINC000038538876 343783219 /nfs/dbraw/zinc/78/32/19/343783219.db2.gz KNQLJUDPCORRRM-ZDUSSCGKSA-N 2 2 204.317 1.836 40 0 BDABLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1C ZINC000038538876 343783221 /nfs/dbraw/zinc/78/32/21/343783221.db2.gz KNQLJUDPCORRRM-ZDUSSCGKSA-N 2 2 204.317 1.836 40 0 BDABLP Cc1[nH]c2ccc(NC(=O)[C@H]3CC[NH2+]C3)cc2[nH+]1 ZINC000062114010 180081770 /nfs/dbraw/zinc/08/17/70/180081770.db2.gz KJDHOGVMLQRYFL-VIFPVBQESA-N 2 2 244.298 1.419 40 0 BDABLP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1C ZINC000038538900 490688805 /nfs/dbraw/zinc/68/88/05/490688805.db2.gz YSYKGJGDOVWJAC-LBPRGKRZSA-N 2 2 220.316 1.537 40 0 BDABLP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1C ZINC000038538900 490688807 /nfs/dbraw/zinc/68/88/07/490688807.db2.gz YSYKGJGDOVWJAC-LBPRGKRZSA-N 2 2 220.316 1.537 40 0 BDABLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)OC ZINC000110768070 369978250 /nfs/dbraw/zinc/97/82/50/369978250.db2.gz HCLGTEXDRCIUDH-QWRGUYRKSA-N 2 2 200.326 1.095 40 0 BDABLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)OC ZINC000110768070 369978253 /nfs/dbraw/zinc/97/82/53/369978253.db2.gz HCLGTEXDRCIUDH-QWRGUYRKSA-N 2 2 200.326 1.095 40 0 BDABLP c1ccc(N[C@H]2COC3(C2)CC[NH2+]CC3)[nH+]c1 ZINC000306140977 183418519 /nfs/dbraw/zinc/41/85/19/183418519.db2.gz VICHWBFYSUMIEL-LLVKDONJSA-N 2 2 233.315 1.405 40 0 BDABLP CN(c1cc(NC2CC2)[nH+]cn1)[C@H]1CCC[NH2+]C1 ZINC000079439546 384147088 /nfs/dbraw/zinc/14/70/88/384147088.db2.gz CHCAJYBKVMGBSL-NSHDSACASA-N 2 2 247.346 1.239 40 0 BDABLP C[NH+](C)CC(C[NH+](C)C)[C@@H](O)c1ccccc1 ZINC000006371917 384151455 /nfs/dbraw/zinc/15/14/55/384151455.db2.gz SQIRUSMYBMFOTE-AWEZNQCLSA-N 2 2 236.359 1.459 40 0 BDABLP c1cn(-c2cnc([C@H]3CCC[NH2+]3)cn2)c[nH+]1 ZINC000072386548 384220098 /nfs/dbraw/zinc/22/00/98/384220098.db2.gz BINMHJUBWYOPJE-SECBINFHSA-N 2 2 215.260 1.087 40 0 BDABLP Fc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000072203807 385059646 /nfs/dbraw/zinc/05/96/46/385059646.db2.gz KFWLYOJLJJSZDN-GFCCVEGCSA-N 2 2 208.280 1.667 40 0 BDABLP CC[NH+]1CCN(c2cc(C)c(CCO)c[nH+]2)CC1 ZINC000072223642 385115704 /nfs/dbraw/zinc/11/57/04/385115704.db2.gz DIGOFEQNDJLERY-UHFFFAOYSA-N 2 2 249.358 1.067 40 0 BDABLP C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccncn2)CC1 ZINC000257242036 385755008 /nfs/dbraw/zinc/75/50/08/385755008.db2.gz IATSKTODWFLPPM-CQSZACIVSA-N 2 2 246.358 1.708 40 0 BDABLP C[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccncn2)CC1 ZINC000257242036 385755011 /nfs/dbraw/zinc/75/50/11/385755011.db2.gz IATSKTODWFLPPM-CQSZACIVSA-N 2 2 246.358 1.708 40 0 BDABLP c1cn(-c2ccc(C[C@H]3CC[NH2+]C3)cn2)c[nH+]1 ZINC000257268164 385758064 /nfs/dbraw/zinc/75/80/64/385758064.db2.gz MKMMOANZWPIPLY-GFCCVEGCSA-N 2 2 228.299 1.419 40 0 BDABLP [NH3+]C[C@H](c1ccncc1)[NH+]1CCCCC1 ZINC000032021187 385970843 /nfs/dbraw/zinc/97/08/43/385970843.db2.gz UVTPSVJPZZHEDH-GFCCVEGCSA-N 2 2 205.305 1.567 40 0 BDABLP [NH3+]CCc1c[nH+]c(Cc2ccccc2)[nH]1 ZINC000040503924 386209742 /nfs/dbraw/zinc/20/97/42/386209742.db2.gz FNAMDTWUDIOUON-UHFFFAOYSA-N 2 2 201.273 1.502 40 0 BDABLP [NH3+]CCc1c[nH]c(Cc2ccccc2)[nH+]1 ZINC000040503924 386209748 /nfs/dbraw/zinc/20/97/48/386209748.db2.gz FNAMDTWUDIOUON-UHFFFAOYSA-N 2 2 201.273 1.502 40 0 BDABLP C[NH2+][C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000050269864 387955252 /nfs/dbraw/zinc/95/52/52/387955252.db2.gz OMTKJAYXDQFZKH-VIFPVBQESA-N 2 2 247.111 1.807 40 0 BDABLP C[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC000050269827 387955384 /nfs/dbraw/zinc/95/53/84/387955384.db2.gz SMZZXIQFAQJFDI-SECBINFHSA-N 2 2 229.121 1.668 40 0 BDABLP [NH3+]CC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000079439564 388696194 /nfs/dbraw/zinc/69/61/94/388696194.db2.gz OMXNCOHTXWWCLB-UHFFFAOYSA-N 2 2 247.346 1.226 40 0 BDABLP [NH3+]CC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000079439564 388696198 /nfs/dbraw/zinc/69/61/98/388696198.db2.gz OMXNCOHTXWWCLB-UHFFFAOYSA-N 2 2 247.346 1.226 40 0 BDABLP CNc1[nH+]c([C@H]2CC[NH2+]C2)c2sccn12 ZINC000257278032 388698395 /nfs/dbraw/zinc/69/83/95/388698395.db2.gz OAMIVFGPMCFYND-ZETCQYMHSA-N 2 2 222.317 1.514 40 0 BDABLP CC(C)[N@@H+]1CCn2c(nnc2[C@@H]2CCC[NH+]2C)C1 ZINC000072373972 167028495 /nfs/dbraw/zinc/02/84/95/167028495.db2.gz QQFJOKBPCVWPPS-NSHDSACASA-N 2 2 249.362 1.269 40 0 BDABLP CC(C)[N@H+]1CCn2c(nnc2[C@@H]2CCC[NH+]2C)C1 ZINC000072373972 167028498 /nfs/dbraw/zinc/02/84/98/167028498.db2.gz QQFJOKBPCVWPPS-NSHDSACASA-N 2 2 249.362 1.269 40 0 BDABLP CC(C)[NH+]1CCn2c(nnc2[C@@H]2CCC[N@@H+]2C)C1 ZINC000072373972 167028501 /nfs/dbraw/zinc/02/85/01/167028501.db2.gz QQFJOKBPCVWPPS-NSHDSACASA-N 2 2 249.362 1.269 40 0 BDABLP CC(C)[NH+]1CCn2c(nnc2[C@@H]2CCC[N@H+]2C)C1 ZINC000072373972 167028502 /nfs/dbraw/zinc/02/85/02/167028502.db2.gz QQFJOKBPCVWPPS-NSHDSACASA-N 2 2 249.362 1.269 40 0 BDABLP CCOC(=O)[C@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC000067796539 170279506 /nfs/dbraw/zinc/27/95/06/170279506.db2.gz FXHNJYQAMCFLMU-GFCCVEGCSA-N 2 2 240.347 1.156 40 0 BDABLP CCOC(=O)[C@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC000067796539 170279507 /nfs/dbraw/zinc/27/95/07/170279507.db2.gz FXHNJYQAMCFLMU-GFCCVEGCSA-N 2 2 240.347 1.156 40 0 BDABLP CCOc1ccc(C)cc1C[NH2+]CC[NH3+] ZINC000095094951 170539749 /nfs/dbraw/zinc/53/97/49/170539749.db2.gz ZSKUBPRGPGBSMB-UHFFFAOYSA-N 2 2 208.305 1.442 40 0 BDABLP CC[C@H](C)[C@@H]([NH3+])C[N@H+](C)CCc1ccccn1 ZINC000020074327 171372371 /nfs/dbraw/zinc/37/23/71/171372371.db2.gz SDYMBIVUPANRCP-JSGCOSHPSA-N 2 2 235.375 1.929 40 0 BDABLP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](C)CCc1ccccn1 ZINC000020074327 171372373 /nfs/dbraw/zinc/37/23/73/171372373.db2.gz SDYMBIVUPANRCP-JSGCOSHPSA-N 2 2 235.375 1.929 40 0 BDABLP COCCC[N@@H+](Cc1cccs1)C[C@@H](C)[NH3+] ZINC000096523887 174227160 /nfs/dbraw/zinc/22/71/60/174227160.db2.gz YTEKXFGWTXFFPE-LLVKDONJSA-N 2 2 242.388 1.934 40 0 BDABLP COCCC[N@H+](Cc1cccs1)C[C@@H](C)[NH3+] ZINC000096523887 174227162 /nfs/dbraw/zinc/22/71/62/174227162.db2.gz YTEKXFGWTXFFPE-LLVKDONJSA-N 2 2 242.388 1.934 40 0 BDABLP C[C@@H](c1nccs1)[NH+]1CCC([NH3+])CC1 ZINC000043220351 176038840 /nfs/dbraw/zinc/03/88/40/176038840.db2.gz MADQHCCOMNNOEM-QMMMGPOBSA-N 2 2 211.334 1.627 40 0 BDABLP [NH3+]C[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000022171165 487970694 /nfs/dbraw/zinc/97/06/94/487970694.db2.gz CIIUJLFQGCDIQU-LBPRGKRZSA-N 2 2 205.305 1.567 40 0 BDABLP [NH3+]C[C@H](c1ccccn1)[NH+]1CCCCC1 ZINC000019399286 398191512 /nfs/dbraw/zinc/19/15/12/398191512.db2.gz QIRZLLAMECDOKM-GFCCVEGCSA-N 2 2 205.305 1.567 40 0 BDABLP CC[NH+](CC)Cc1nc([C@@H]([NH3+])C(C)C)no1 ZINC000070453696 259313862 /nfs/dbraw/zinc/31/38/62/259313862.db2.gz GAUIVOCASWXRMS-JTQLQIEISA-N 2 2 226.324 1.567 40 0 BDABLP CCOc1cccc([C@@H]2C[N@H+](C)C[C@@H]2[NH3+])c1 ZINC000217662147 398322668 /nfs/dbraw/zinc/32/26/68/398322668.db2.gz NGXVBQRXWPZTTC-STQMWFEESA-N 2 2 220.316 1.442 40 0 BDABLP CCOc1cccc([C@@H]2C[N@@H+](C)C[C@@H]2[NH3+])c1 ZINC000217662147 398322670 /nfs/dbraw/zinc/32/26/70/398322670.db2.gz NGXVBQRXWPZTTC-STQMWFEESA-N 2 2 220.316 1.442 40 0 BDABLP CCOc1cccc([C@H]2C[N@H+](C)C[C@@H]2[NH3+])c1 ZINC000217662231 398322777 /nfs/dbraw/zinc/32/27/77/398322777.db2.gz NGXVBQRXWPZTTC-OLZOCXBDSA-N 2 2 220.316 1.442 40 0 BDABLP CCOc1cccc([C@H]2C[N@@H+](C)C[C@@H]2[NH3+])c1 ZINC000217662231 398322779 /nfs/dbraw/zinc/32/27/79/398322779.db2.gz NGXVBQRXWPZTTC-OLZOCXBDSA-N 2 2 220.316 1.442 40 0 BDABLP [NH3+][C@H](Cc1ccccc1)Cn1cc[nH+]c1 ZINC000022115195 343040326 /nfs/dbraw/zinc/04/03/26/343040326.db2.gz XDIMGPCJKRKQDL-GFCCVEGCSA-N 2 2 201.273 1.453 40 0 BDABLP CC(C)[N@H+](CC[NH3+])[C@@H](C)c1ccccn1 ZINC000079421748 187263736 /nfs/dbraw/zinc/26/37/36/187263736.db2.gz POKNJKFRECSUTF-NSHDSACASA-N 2 2 207.321 1.812 40 0 BDABLP CC(C)[N@@H+](CC[NH3+])[C@@H](C)c1ccccn1 ZINC000079421748 187263737 /nfs/dbraw/zinc/26/37/37/187263737.db2.gz POKNJKFRECSUTF-NSHDSACASA-N 2 2 207.321 1.812 40 0 BDABLP CCn1nc(C)cc1C[NH+]1CCC([NH3+])CC1 ZINC000012398820 187298207 /nfs/dbraw/zinc/29/82/07/187298207.db2.gz VDQQGDZPXHIGDL-UHFFFAOYSA-N 2 2 222.336 1.135 40 0 BDABLP C(=C/c1ccccc1)\C[N@@H+]1CCC[NH2+]CC1 ZINC000022938519 188007623 /nfs/dbraw/zinc/00/76/23/188007623.db2.gz PRSUIGUMFYZTCX-XBXARRHUSA-N 2 2 216.328 1.995 40 0 BDABLP C(=C/c1ccccc1)\C[N@H+]1CCC[NH2+]CC1 ZINC000022938519 188007625 /nfs/dbraw/zinc/00/76/25/188007625.db2.gz PRSUIGUMFYZTCX-XBXARRHUSA-N 2 2 216.328 1.995 40 0 BDABLP [NH3+]C1CC[NH+](Cc2ccc(F)s2)CC1 ZINC000067802974 181344412 /nfs/dbraw/zinc/34/44/12/181344412.db2.gz VDNKBRFBUAPGEP-UHFFFAOYSA-N 2 2 214.309 1.810 40 0 BDABLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000038539858 181579120 /nfs/dbraw/zinc/57/91/20/181579120.db2.gz JPAGPIYHOBHMCB-LLVKDONJSA-N 2 2 206.289 1.315 40 0 BDABLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000038539858 181579122 /nfs/dbraw/zinc/57/91/22/181579122.db2.gz JPAGPIYHOBHMCB-LLVKDONJSA-N 2 2 206.289 1.315 40 0 BDABLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000020367102 371273567 /nfs/dbraw/zinc/27/35/67/371273567.db2.gz KZCQMEMCNGRKFZ-CYBMUJFWSA-N 2 2 204.317 1.918 40 0 BDABLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000020367102 371273570 /nfs/dbraw/zinc/27/35/70/371273570.db2.gz KZCQMEMCNGRKFZ-CYBMUJFWSA-N 2 2 204.317 1.918 40 0 BDABLP c1ccc(C[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC000038530199 183397122 /nfs/dbraw/zinc/39/71/22/183397122.db2.gz IIDCCOABJLXJJG-UHFFFAOYSA-N 2 2 216.328 1.872 40 0 BDABLP c1ccc(OCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000036946461 383921675 /nfs/dbraw/zinc/92/16/75/383921675.db2.gz IBBSKZUJEYXODX-UHFFFAOYSA-N 2 2 220.316 1.361 40 0 BDABLP c1ccc(OCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000036946461 383921680 /nfs/dbraw/zinc/92/16/80/383921680.db2.gz IBBSKZUJEYXODX-UHFFFAOYSA-N 2 2 220.316 1.361 40 0 BDABLP CC[N@H+](CC[NH3+])Cc1cccc(OC)c1 ZINC000039318901 383901496 /nfs/dbraw/zinc/90/14/96/383901496.db2.gz HQBIWNGNXVHZRX-UHFFFAOYSA-N 2 2 208.305 1.476 40 0 BDABLP CC[N@@H+](CC[NH3+])Cc1cccc(OC)c1 ZINC000039318901 383901500 /nfs/dbraw/zinc/90/15/00/383901500.db2.gz HQBIWNGNXVHZRX-UHFFFAOYSA-N 2 2 208.305 1.476 40 0 BDABLP Cn1cc[nH+]c1C[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000072381943 384218619 /nfs/dbraw/zinc/21/86/19/384218619.db2.gz ICIQXDBUKQZMMQ-GFCCVEGCSA-N 2 2 249.358 1.464 40 0 BDABLP Cn1cc[nH+]c1C[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC000072381943 384218626 /nfs/dbraw/zinc/21/86/26/384218626.db2.gz ICIQXDBUKQZMMQ-GFCCVEGCSA-N 2 2 249.358 1.464 40 0 BDABLP C[NH+](C)Cc1nc(CCSC[NH3+])cs1 ZINC000095869936 384402854 /nfs/dbraw/zinc/40/28/54/384402854.db2.gz PMULGRAOYPJFST-UHFFFAOYSA-N 2 2 231.390 1.397 40 0 BDABLP Cc1ccn([C@@H](C)[C@@H]2CCC[N@@H+]2CC[NH3+])n1 ZINC000022763116 384774096 /nfs/dbraw/zinc/77/40/96/384774096.db2.gz TZNNEOLHPHZQRJ-RYUDHWBXSA-N 2 2 222.336 1.176 40 0 BDABLP Cc1ccn([C@@H](C)[C@@H]2CCC[N@H+]2CC[NH3+])n1 ZINC000022763116 384774100 /nfs/dbraw/zinc/77/41/00/384774100.db2.gz TZNNEOLHPHZQRJ-RYUDHWBXSA-N 2 2 222.336 1.176 40 0 BDABLP [NH3+]CCc1[nH+]c(C2CC2)n2c1CCCC2 ZINC000083986044 384965420 /nfs/dbraw/zinc/96/54/20/384965420.db2.gz PJWORTZMFWHFMN-UHFFFAOYSA-N 2 2 205.305 1.598 40 0 BDABLP Clc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cn1 ZINC000072203714 385057176 /nfs/dbraw/zinc/05/71/76/385057176.db2.gz DQSUQDDMLRERFZ-SNVBAGLBSA-N 2 2 225.723 1.577 40 0 BDABLP Cc1nc(N2CCC([NH3+])CC2)cc(C2CC2)[nH+]1 ZINC000096516888 385254655 /nfs/dbraw/zinc/25/46/55/385254655.db2.gz NGGQLPUKWKREAY-UHFFFAOYSA-N 2 2 232.331 1.590 40 0 BDABLP Cc1[nH+]c(C2CC2)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000096517003 385254738 /nfs/dbraw/zinc/25/47/38/385254738.db2.gz QULLAIXYHOPNAZ-NSHDSACASA-N 2 2 232.331 1.508 40 0 BDABLP Cc1noc(C)c1CC[N@@H+]1CCC[NH2+]CC1 ZINC000096523658 385269720 /nfs/dbraw/zinc/26/97/20/385269720.db2.gz CQNUCBGHUMYHRW-UHFFFAOYSA-N 2 2 223.320 1.129 40 0 BDABLP Cc1noc(C)c1CC[N@H+]1CCC[NH2+]CC1 ZINC000096523658 385269726 /nfs/dbraw/zinc/26/97/26/385269726.db2.gz CQNUCBGHUMYHRW-UHFFFAOYSA-N 2 2 223.320 1.129 40 0 BDABLP Cc1cc(N2CCCCC2)nc(NCC[NH3+])[nH+]1 ZINC000217507344 385325375 /nfs/dbraw/zinc/32/53/75/385325375.db2.gz FUNUZRKVTZKLBJ-UHFFFAOYSA-N 2 2 235.335 1.146 40 0 BDABLP CCCOc1ccc([C@@H]2C[N@H+](C)C[C@H]2[NH3+])cc1 ZINC000242522399 388398677 /nfs/dbraw/zinc/39/86/77/388398677.db2.gz IQRLYFZCLWBADM-UONOGXRCSA-N 2 2 234.343 1.832 40 0 BDABLP CCCOc1ccc([C@@H]2C[N@@H+](C)C[C@H]2[NH3+])cc1 ZINC000242522399 388398679 /nfs/dbraw/zinc/39/86/79/388398679.db2.gz IQRLYFZCLWBADM-UONOGXRCSA-N 2 2 234.343 1.832 40 0 BDABLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1nccs1 ZINC000070633999 388731009 /nfs/dbraw/zinc/73/10/09/388731009.db2.gz CZUWLKVCZMANGS-QMMMGPOBSA-N 2 2 211.334 1.546 40 0 BDABLP Cc1cc[nH+]cc1N(C)C[C@@H]1CCCC[NH2+]1 ZINC000252497725 259326165 /nfs/dbraw/zinc/32/61/65/259326165.db2.gz QOKBTUXYOXREHS-LBPRGKRZSA-N 2 2 219.332 1.968 40 0 BDABLP [NH3+][C@H](CC[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000022026884 343037116 /nfs/dbraw/zinc/03/71/16/343037116.db2.gz NTCMQIAVHJSZET-CQSZACIVSA-N 3 2 239.407 1.676 40 0 BDABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000072344154 187276841 /nfs/dbraw/zinc/27/68/41/187276841.db2.gz WCXJHQBSUIPWCO-SNVBAGLBSA-N 2 2 243.314 1.649 40 0 BDABLP C[C@@]1(O)CC[NH2+]C[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000306046592 537909725 /nfs/dbraw/zinc/90/97/25/537909725.db2.gz TVUPGFUXRDARBK-HUUCEWRRSA-N 2 2 246.354 1.158 40 0 BDABLP C[C@@]1(O)CC[NH2+]C[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000306046592 537909734 /nfs/dbraw/zinc/90/97/34/537909734.db2.gz TVUPGFUXRDARBK-HUUCEWRRSA-N 2 2 246.354 1.158 40 0 BDABLP OCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904567 183079573 /nfs/dbraw/zinc/07/95/73/183079573.db2.gz LFAKEOCEKASBCZ-CQSZACIVSA-N 2 2 234.343 1.233 40 0 BDABLP OCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904567 183079575 /nfs/dbraw/zinc/07/95/75/183079575.db2.gz LFAKEOCEKASBCZ-CQSZACIVSA-N 2 2 234.343 1.233 40 0 BDABLP [NH3+]C[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000022171162 383991122 /nfs/dbraw/zinc/99/11/22/383991122.db2.gz CIIUJLFQGCDIQU-GFCCVEGCSA-N 2 2 205.305 1.567 40 0 BDABLP [NH3+]C[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000035677005 384088961 /nfs/dbraw/zinc/08/89/61/384088961.db2.gz OOXAINRQIVQQDU-SSDOTTSWSA-N 2 2 205.088 1.952 40 0 BDABLP COC[C@@H]1Cn2c[nH+]cc2C[N@@H+](C2CCC2)C1 ZINC000096206789 384443224 /nfs/dbraw/zinc/44/32/24/384443224.db2.gz JOAKSVFAXPXOAP-NSHDSACASA-N 2 2 235.331 1.514 40 0 BDABLP COC[C@@H]1Cn2c[nH+]cc2C[N@H+](C2CCC2)C1 ZINC000096206789 384443227 /nfs/dbraw/zinc/44/32/27/384443227.db2.gz JOAKSVFAXPXOAP-NSHDSACASA-N 2 2 235.331 1.514 40 0 BDABLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccncc1)C2 ZINC000107244600 384958040 /nfs/dbraw/zinc/95/80/40/384958040.db2.gz PAYRGVYUQFNYRC-ZIAGYGMSSA-N 2 2 249.333 1.605 40 0 BDABLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000107244600 384958047 /nfs/dbraw/zinc/95/80/47/384958047.db2.gz PAYRGVYUQFNYRC-ZIAGYGMSSA-N 2 2 249.333 1.605 40 0 BDABLP c1cn(-c2cc[nH+]c([C@H]3CCC[NH2+]C3)c2)cn1 ZINC000257326932 385763726 /nfs/dbraw/zinc/76/37/26/385763726.db2.gz WZDPXLUJJTVJQO-NSHDSACASA-N 2 2 228.299 1.734 40 0 BDABLP Cc1cc(CC2CC[NH+](CC(N)=O)CC2)cc[nH+]1 ZINC000257320686 385765469 /nfs/dbraw/zinc/76/54/69/385765469.db2.gz VYAWUKHKJAEOJV-UHFFFAOYSA-N 2 2 247.342 1.130 40 0 BDABLP CC[NH+](CC)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363624 386230094 /nfs/dbraw/zinc/23/00/94/386230094.db2.gz DPIMLYSVINCYCY-CYBMUJFWSA-N 2 2 234.343 1.963 40 0 BDABLP CC(C)C[C@H]([NH3+])C[NH+]1CCSCC1 ZINC000020257461 388760066 /nfs/dbraw/zinc/76/00/66/388760066.db2.gz NFNHGCWRVWTARG-JTQLQIEISA-N 2 2 202.367 1.409 40 0 BDABLP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000020248658 175100370 /nfs/dbraw/zinc/10/03/70/175100370.db2.gz LBMGSIVSAWHALC-LBPRGKRZSA-N 2 2 220.316 1.618 40 0 BDABLP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000020248658 175100372 /nfs/dbraw/zinc/10/03/72/175100372.db2.gz LBMGSIVSAWHALC-LBPRGKRZSA-N 2 2 220.316 1.618 40 0 BDABLP COc1ccc([C@H]2C[N@H+](C)C[C@@H]2[NH3+])cc1 ZINC000216434909 175195515 /nfs/dbraw/zinc/19/55/15/175195515.db2.gz SQPBLMCZKBMQOF-NEPJUHHUSA-N 2 2 206.289 1.052 40 0 BDABLP COc1ccc([C@H]2C[N@@H+](C)C[C@@H]2[NH3+])cc1 ZINC000216434909 175195516 /nfs/dbraw/zinc/19/55/16/175195516.db2.gz SQPBLMCZKBMQOF-NEPJUHHUSA-N 2 2 206.289 1.052 40 0 BDABLP c1coc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000034924595 487673221 /nfs/dbraw/zinc/67/32/21/487673221.db2.gz FWWZBBUFADMPRR-UHFFFAOYSA-N 2 2 205.261 1.656 40 0 BDABLP Cc1cc[nH+]cc1N(C)C[C@H]1CCC[NH2+]C1 ZINC000242718336 259326362 /nfs/dbraw/zinc/32/63/62/259326362.db2.gz XKARMLZKWZCLIT-LBPRGKRZSA-N 2 2 219.332 1.826 40 0 BDABLP Cc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000050242957 259369909 /nfs/dbraw/zinc/36/99/09/259369909.db2.gz HSKGKOQMISPIEK-GFCCVEGCSA-N 2 2 220.316 1.407 40 0 BDABLP Cc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000050242957 259369910 /nfs/dbraw/zinc/36/99/10/259369910.db2.gz HSKGKOQMISPIEK-GFCCVEGCSA-N 2 2 220.316 1.407 40 0 BDABLP CC(C)[NH+]1CCC(Oc2cc[nH+]cc2N)CC1 ZINC000096526681 188148123 /nfs/dbraw/zinc/14/81/23/188148123.db2.gz ZCSJGQQFWVJZNU-UHFFFAOYSA-N 2 2 235.331 1.915 40 0 BDABLP [NH3+]CC[N@@H+]1CCC[C@@H]1CCCn1cccn1 ZINC000022763152 181391348 /nfs/dbraw/zinc/39/13/48/181391348.db2.gz VKLFHQOQSBLRNB-GFCCVEGCSA-N 2 2 222.336 1.086 40 0 BDABLP [NH3+]CC[N@H+]1CCC[C@@H]1CCCn1cccn1 ZINC000022763152 181391351 /nfs/dbraw/zinc/39/13/51/181391351.db2.gz VKLFHQOQSBLRNB-GFCCVEGCSA-N 2 2 222.336 1.086 40 0 BDABLP c1cn2c(cccc2C2CC[NH2+]CC2)[nH+]1 ZINC000082382093 183336899 /nfs/dbraw/zinc/33/68/99/183336899.db2.gz ZQUXRCYCHHTDNJ-UHFFFAOYSA-N 2 2 201.273 1.801 40 0 BDABLP CCCOc1cccc(C[NH2+]CC[NH3+])c1 ZINC000038038357 169325544 /nfs/dbraw/zinc/32/55/44/169325544.db2.gz FZIRPZJTMNBMDL-UHFFFAOYSA-N 2 2 208.305 1.524 40 0 BDABLP Cc1cccc(C(=O)C(C[NH+](C)C)C[NH+](C)C)c1 ZINC000001580574 383907336 /nfs/dbraw/zinc/90/73/36/383907336.db2.gz HJYJIDIQUCAIOI-UHFFFAOYSA-N 2 2 248.370 1.917 40 0 BDABLP C[NH+](C)CC(C[NH+](C)C)C(=O)C(C)(C)C ZINC000001591431 383909974 /nfs/dbraw/zinc/90/99/74/383909974.db2.gz JHRFQCDUDJNNMK-UHFFFAOYSA-N 2 2 214.353 1.341 40 0 BDABLP C[N@H+](CC[NH3+])Cc1nccc2ccccc21 ZINC000079422052 384144218 /nfs/dbraw/zinc/14/42/18/384144218.db2.gz NMJNQTWQXNBGDO-UHFFFAOYSA-N 2 2 215.300 1.625 40 0 BDABLP C[N@@H+](CC[NH3+])Cc1nccc2ccccc21 ZINC000079422052 384144220 /nfs/dbraw/zinc/14/42/20/384144220.db2.gz NMJNQTWQXNBGDO-UHFFFAOYSA-N 2 2 215.300 1.625 40 0 BDABLP c1cn(-c2cncc([C@H]3CCC[NH2+]3)n2)c[nH+]1 ZINC000072355926 384210498 /nfs/dbraw/zinc/21/04/98/384210498.db2.gz ZJMUEANJXBMHLE-SECBINFHSA-N 2 2 215.260 1.087 40 0 BDABLP CC[NH+]1CCN(c2[nH+]cc(C)cc2N)CC1 ZINC000082538028 384690819 /nfs/dbraw/zinc/69/08/19/384690819.db2.gz WAOHTKUTUMAOAQ-UHFFFAOYSA-N 2 2 220.320 1.114 40 0 BDABLP CCOc1ccc(CC[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000057954337 385101554 /nfs/dbraw/zinc/10/15/54/385101554.db2.gz QCAIUVLHPUCGMC-CYBMUJFWSA-N 2 2 234.343 1.661 40 0 BDABLP CCOc1ccc(CC[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000057954337 385101563 /nfs/dbraw/zinc/10/15/63/385101563.db2.gz QCAIUVLHPUCGMC-CYBMUJFWSA-N 2 2 234.343 1.661 40 0 BDABLP C[NH2+][C@@H]1CC[N@H+](C)Cc2ccc(F)cc21 ZINC000096509724 385244514 /nfs/dbraw/zinc/24/45/14/385244514.db2.gz YTUYANYHVAXFBR-GFCCVEGCSA-N 2 2 208.280 1.922 40 0 BDABLP C[NH2+][C@@H]1CC[N@@H+](C)Cc2ccc(F)cc21 ZINC000096509724 385244518 /nfs/dbraw/zinc/24/45/18/385244518.db2.gz YTUYANYHVAXFBR-GFCCVEGCSA-N 2 2 208.280 1.922 40 0 BDABLP Cc1[nH+]c(C2CC2)nc(N2CCC([NH3+])CC2)c1C ZINC000096516965 385254930 /nfs/dbraw/zinc/25/49/30/385254930.db2.gz LOBANFPISLRDPR-UHFFFAOYSA-N 2 2 246.358 1.898 40 0 BDABLP [NH3+][C@H]1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000096516995 385256076 /nfs/dbraw/zinc/25/60/76/385256076.db2.gz WJDKWFHWSHQORR-JTQLQIEISA-N 2 2 244.342 1.380 40 0 BDABLP CN(C)c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000096523506 385267839 /nfs/dbraw/zinc/26/78/39/385267839.db2.gz BCPOOWULFFLMKH-GFCCVEGCSA-N 2 2 219.332 1.286 40 0 BDABLP CN(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000096523506 385267848 /nfs/dbraw/zinc/26/78/48/385267848.db2.gz BCPOOWULFFLMKH-GFCCVEGCSA-N 2 2 219.332 1.286 40 0 BDABLP [NH3+]C[C@@H](c1ccc2c(c1)CCO2)[NH+]1CCCC1 ZINC000037363616 386230967 /nfs/dbraw/zinc/23/09/67/386230967.db2.gz VBVBMDSLBHOHFL-ZDUSSCGKSA-N 2 2 232.327 1.717 40 0 BDABLP CC(C)n1nccc1C[NH2+]CCC[NH+](C)C ZINC000256051247 387857923 /nfs/dbraw/zinc/85/79/23/387857923.db2.gz IJRIVPFHKUSGAA-UHFFFAOYSA-N 2 2 224.352 1.505 40 0 BDABLP CCc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000038538716 388405260 /nfs/dbraw/zinc/40/52/60/388405260.db2.gz BGJSLMXSDOYNAH-CYBMUJFWSA-N 2 2 204.317 1.782 40 0 BDABLP CCc1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000038538716 388405262 /nfs/dbraw/zinc/40/52/62/388405262.db2.gz BGJSLMXSDOYNAH-CYBMUJFWSA-N 2 2 204.317 1.782 40 0 BDABLP C[NH2+]CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062031670 388648985 /nfs/dbraw/zinc/64/89/85/388648985.db2.gz VQGHQBHNSXYXSK-UHFFFAOYSA-N 3 2 225.380 1.014 40 0 BDABLP CC(C)Oc1ccccc1C[NH2+]CC[NH3+] ZINC000037712862 167310595 /nfs/dbraw/zinc/31/05/95/167310595.db2.gz YLDMAGQGUVMMOO-UHFFFAOYSA-N 2 2 208.305 1.522 40 0 BDABLP CCn1nc(C)c(C[N@@H+]2CCC[NH2+]CC2)c1C ZINC000307963253 172246062 /nfs/dbraw/zinc/24/60/62/172246062.db2.gz FGGLIBMRJOSCJC-UHFFFAOYSA-N 2 2 236.363 1.315 40 0 BDABLP CCn1nc(C)c(C[N@H+]2CCC[NH2+]CC2)c1C ZINC000307963253 172246064 /nfs/dbraw/zinc/24/60/64/172246064.db2.gz FGGLIBMRJOSCJC-UHFFFAOYSA-N 2 2 236.363 1.315 40 0 BDABLP C[N@@H+]1CCC[C@H](c2cnc(-n3cc[nH+]c3)cn2)C1 ZINC000072386557 173049124 /nfs/dbraw/zinc/04/91/24/173049124.db2.gz ANZSZKZBXQVQEG-NSHDSACASA-N 2 2 243.314 1.472 40 0 BDABLP C[N@H+]1CCC[C@H](c2cnc(-n3cc[nH+]c3)cn2)C1 ZINC000072386557 173049125 /nfs/dbraw/zinc/04/91/25/173049125.db2.gz ANZSZKZBXQVQEG-NSHDSACASA-N 2 2 243.314 1.472 40 0 BDABLP C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000096215828 173104292 /nfs/dbraw/zinc/10/42/92/173104292.db2.gz MMGKKVSUFGJNAC-LSDHHAIUSA-N 2 2 246.354 1.449 40 0 BDABLP C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000096215828 173104295 /nfs/dbraw/zinc/10/42/95/173104295.db2.gz MMGKKVSUFGJNAC-LSDHHAIUSA-N 2 2 246.354 1.449 40 0 BDABLP C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000096215828 173104299 /nfs/dbraw/zinc/10/42/99/173104299.db2.gz MMGKKVSUFGJNAC-LSDHHAIUSA-N 2 2 246.354 1.449 40 0 BDABLP C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000096215828 173104301 /nfs/dbraw/zinc/10/43/01/173104301.db2.gz MMGKKVSUFGJNAC-LSDHHAIUSA-N 2 2 246.354 1.449 40 0 BDABLP COCC[N@@H+](Cc1cccs1)C[C@@H](C)[NH3+] ZINC000096523891 174300925 /nfs/dbraw/zinc/30/09/25/174300925.db2.gz PPOYLRZJDSCXJQ-SNVBAGLBSA-N 2 2 228.361 1.544 40 0 BDABLP COCC[N@H+](Cc1cccs1)C[C@@H](C)[NH3+] ZINC000096523891 174300926 /nfs/dbraw/zinc/30/09/26/174300926.db2.gz PPOYLRZJDSCXJQ-SNVBAGLBSA-N 2 2 228.361 1.544 40 0 BDABLP COc1ccc(NC2CC[NH2+]CC2)[nH+]c1 ZINC000098213734 175149355 /nfs/dbraw/zinc/14/93/55/175149355.db2.gz BKZUTAUJWOBKBO-UHFFFAOYSA-N 2 2 207.277 1.254 40 0 BDABLP COc1ccc([C@@H]2C[N@H+](C)C[C@H]2[NH3+])cc1 ZINC000082378578 175183484 /nfs/dbraw/zinc/18/34/84/175183484.db2.gz SQPBLMCZKBMQOF-NWDGAFQWSA-N 2 2 206.289 1.052 40 0 BDABLP COc1ccc([C@@H]2C[N@@H+](C)C[C@H]2[NH3+])cc1 ZINC000082378578 175183485 /nfs/dbraw/zinc/18/34/85/175183485.db2.gz SQPBLMCZKBMQOF-NWDGAFQWSA-N 2 2 206.289 1.052 40 0 BDABLP COc1ccccc1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000038539480 175328367 /nfs/dbraw/zinc/32/83/67/175328367.db2.gz XPVNDSRDSMMTNO-GFCCVEGCSA-N 2 2 220.316 1.618 40 0 BDABLP COc1ccccc1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000038539480 175328369 /nfs/dbraw/zinc/32/83/69/175328369.db2.gz XPVNDSRDSMMTNO-GFCCVEGCSA-N 2 2 220.316 1.618 40 0 BDABLP COc1ccccc1[C@H]1C[N@H+](C)C[C@@H]1[NH3+] ZINC000216434990 175355312 /nfs/dbraw/zinc/35/53/12/175355312.db2.gz RBSOSCGVVTWKBK-MNOVXSKESA-N 2 2 206.289 1.052 40 0 BDABLP COc1ccccc1[C@H]1C[N@@H+](C)C[C@@H]1[NH3+] ZINC000216434990 175355313 /nfs/dbraw/zinc/35/53/13/175355313.db2.gz RBSOSCGVVTWKBK-MNOVXSKESA-N 2 2 206.289 1.052 40 0 BDABLP CCc1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC000253606667 523930792 /nfs/dbraw/zinc/93/07/92/523930792.db2.gz RHCOBWPGWAVOJU-ZIAGYGMSSA-N 2 2 216.328 1.782 40 0 BDABLP CCc1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC000253606667 523930795 /nfs/dbraw/zinc/93/07/95/523930795.db2.gz RHCOBWPGWAVOJU-ZIAGYGMSSA-N 2 2 216.328 1.782 40 0 BDABLP [NH3+][C@H](CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000012398962 342851301 /nfs/dbraw/zinc/85/13/01/342851301.db2.gz YRNKYHIXQIVKIL-CYBMUJFWSA-N 2 2 238.306 1.548 40 0 BDABLP C[NH2+][C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000050269792 259369893 /nfs/dbraw/zinc/36/98/93/259369893.db2.gz VFTJEGSENIZJAG-VIFPVBQESA-N 2 2 218.222 1.925 40 0 BDABLP Cc1ccccc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000038539461 179274205 /nfs/dbraw/zinc/27/42/05/179274205.db2.gz YFPWTSAIXBZFCU-ZDUSSCGKSA-N 2 2 204.317 1.918 40 0 BDABLP Cc1ccccc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000038539461 179274208 /nfs/dbraw/zinc/27/42/08/179274208.db2.gz YFPWTSAIXBZFCU-ZDUSSCGKSA-N 2 2 204.317 1.918 40 0 BDABLP C[C@]1(O)CC[NH2+]C[C@@H]1[N@@H+]1CCc2ccccc2C1 ZINC000306046591 538042023 /nfs/dbraw/zinc/04/20/23/538042023.db2.gz TVUPGFUXRDARBK-GJZGRUSLSA-N 2 2 246.354 1.158 40 0 BDABLP C[C@]1(O)CC[NH2+]C[C@@H]1[N@H+]1CCc2ccccc2C1 ZINC000306046591 538042029 /nfs/dbraw/zinc/04/20/29/538042029.db2.gz TVUPGFUXRDARBK-GJZGRUSLSA-N 2 2 246.354 1.158 40 0 BDABLP Nc1cc(-c2c[nH]nc2[C@@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000072357467 384215149 /nfs/dbraw/zinc/21/51/49/384215149.db2.gz TUKIJXZFYKWPCV-NSHDSACASA-N 2 2 243.314 1.869 40 0 BDABLP Cn1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)n1 ZINC000106820772 384388590 /nfs/dbraw/zinc/38/85/90/384388590.db2.gz MDVOVLVGQZCWCT-UHFFFAOYSA-N 2 2 234.347 1.138 40 0 BDABLP Cn1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)n1 ZINC000106820772 384388593 /nfs/dbraw/zinc/38/85/93/384388593.db2.gz MDVOVLVGQZCWCT-UHFFFAOYSA-N 2 2 234.347 1.138 40 0 BDABLP CCOc1c(C)cccc1C[NH2+]CC[NH3+] ZINC000095094949 384962432 /nfs/dbraw/zinc/96/24/32/384962432.db2.gz VPSXPSXKNKJUDE-UHFFFAOYSA-N 2 2 208.305 1.442 40 0 BDABLP [NH3+]C[C@@H](c1ccncc1)[NH+]1CCCCC1 ZINC000032021190 385757099 /nfs/dbraw/zinc/75/70/99/385757099.db2.gz UVTPSVJPZZHEDH-LBPRGKRZSA-N 2 2 205.305 1.567 40 0 BDABLP c1ccc(N[C@@H]2COC3(C2)CC[NH2+]CC3)[nH+]c1 ZINC000306140978 385991491 /nfs/dbraw/zinc/99/14/91/385991491.db2.gz VICHWBFYSUMIEL-NSHDSACASA-N 2 2 233.315 1.405 40 0 BDABLP [NH3+]C[C@H]([NH3+])c1ccccc1Br ZINC000034155393 386071655 /nfs/dbraw/zinc/07/16/55/386071655.db2.gz PAMGDOWWTHYUTI-QMMMGPOBSA-N 2 2 215.094 1.408 40 0 BDABLP CC[NH+](CC)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363622 386229884 /nfs/dbraw/zinc/22/98/84/386229884.db2.gz DPIMLYSVINCYCY-ZDUSSCGKSA-N 2 2 234.343 1.963 40 0 BDABLP C[C@@H]1CCCN(c2cc[nH+]cc2C[NH3+])C1 ZINC000088114697 386826018 /nfs/dbraw/zinc/82/60/18/386826018.db2.gz UISRPZWNRQHEQU-SNVBAGLBSA-N 2 2 205.305 1.777 40 0 BDABLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)C2(COC2)C1 ZINC000082344127 388030152 /nfs/dbraw/zinc/03/01/52/388030152.db2.gz CCVUPUKVQXRLAJ-CYBMUJFWSA-N 2 2 232.327 1.379 40 0 BDABLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(COC2)C1 ZINC000082344127 388030158 /nfs/dbraw/zinc/03/01/58/388030158.db2.gz CCVUPUKVQXRLAJ-CYBMUJFWSA-N 2 2 232.327 1.379 40 0 BDABLP CCCOc1ccc([C@H]2C[N@H+](C)C[C@H]2[NH3+])cc1 ZINC000242522400 388398262 /nfs/dbraw/zinc/39/82/62/388398262.db2.gz IQRLYFZCLWBADM-ZIAGYGMSSA-N 2 2 234.343 1.832 40 0 BDABLP CCCOc1ccc([C@H]2C[N@@H+](C)C[C@H]2[NH3+])cc1 ZINC000242522400 388398266 /nfs/dbraw/zinc/39/82/66/388398266.db2.gz IQRLYFZCLWBADM-ZIAGYGMSSA-N 2 2 234.343 1.832 40 0 BDABLP [NH3+]C[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424921 411165508 /nfs/dbraw/zinc/16/55/08/411165508.db2.gz JLMCDYSDCCEFAP-MRVPVSSYSA-N 2 2 205.088 1.952 40 0 BDABLP CC1CC[NH+]([C@@H](C[NH3+])c2cccnc2)CC1 ZINC000019771665 168186420 /nfs/dbraw/zinc/18/64/20/168186420.db2.gz FHSGAHODISKNAP-ZDUSSCGKSA-N 2 2 219.332 1.813 40 0 BDABLP CCn1c2ccccc2[nH+]c1CCC[NH3+] ZINC000011568676 172143327 /nfs/dbraw/zinc/14/33/27/172143327.db2.gz MMPYLGDLAQYMQA-UHFFFAOYSA-N 2 2 203.289 1.948 40 0 BDABLP C[N@@H+]1CCC[C@@H]1c1nccnc1-n1cc[nH+]c1 ZINC000072382195 173035993 /nfs/dbraw/zinc/03/59/93/173035993.db2.gz JAOVEODSSMCAFP-SNVBAGLBSA-N 2 2 229.287 1.429 40 0 BDABLP C[N@H+]1CCC[C@@H]1c1nccnc1-n1cc[nH+]c1 ZINC000072382195 173035997 /nfs/dbraw/zinc/03/59/97/173035997.db2.gz JAOVEODSSMCAFP-SNVBAGLBSA-N 2 2 229.287 1.429 40 0 BDABLP COc1cccc2c(NCC[NH3+])cc[nH+]c12 ZINC000212127163 175300186 /nfs/dbraw/zinc/30/01/86/175300186.db2.gz NMZHORRCGWVCIN-UHFFFAOYSA-N 2 2 217.272 1.614 40 0 BDABLP Cc1nc(N2CC[C@@H]([NH3+])C2)c2c([nH+]1)CCCC2 ZINC000096516910 180067658 /nfs/dbraw/zinc/06/76/58/180067658.db2.gz DSWFTYHKSAYEQJ-SNVBAGLBSA-N 2 2 232.331 1.201 40 0 BDABLP [NH3+][C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000041030338 361173371 /nfs/dbraw/zinc/17/33/71/361173371.db2.gz RCLYMORVSRZNHW-SECBINFHSA-N 2 2 216.288 1.490 40 0 BDABLP CCC[C@@H]([NH3+])C[N@H+](CC)Cc1cnn(CC)c1 ZINC000096523984 169392569 /nfs/dbraw/zinc/39/25/69/169392569.db2.gz ZEQIKVPKGYRXIY-CYBMUJFWSA-N 2 2 238.379 1.852 40 0 BDABLP CCC[C@@H]([NH3+])C[N@@H+](CC)Cc1cnn(CC)c1 ZINC000096523984 169392570 /nfs/dbraw/zinc/39/25/70/169392570.db2.gz ZEQIKVPKGYRXIY-CYBMUJFWSA-N 2 2 238.379 1.852 40 0 BDABLP Cc1n[nH]c(C)c1CCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000096523540 385267903 /nfs/dbraw/zinc/26/79/03/385267903.db2.gz HBAVAFDSHYELPT-GFCCVEGCSA-N 2 2 236.363 1.382 40 0 BDABLP Cc1n[nH]c(C)c1CCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000096523540 385267908 /nfs/dbraw/zinc/26/79/08/385267908.db2.gz HBAVAFDSHYELPT-GFCCVEGCSA-N 2 2 236.363 1.382 40 0 BDABLP [NH3+][C@H](C[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000096523467 385268334 /nfs/dbraw/zinc/26/83/34/385268334.db2.gz GFVQRGJVAZDQEI-CHWSQXEVSA-N 2 2 220.316 1.143 40 0 BDABLP [NH3+][C@H](C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000096523467 385268338 /nfs/dbraw/zinc/26/83/38/385268338.db2.gz GFVQRGJVAZDQEI-CHWSQXEVSA-N 2 2 220.316 1.143 40 0 BDABLP CC(C)[C@@H]([NH3+])CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000096523799 385268536 /nfs/dbraw/zinc/26/85/36/385268536.db2.gz HOGARXFHDOYYGB-ZDUSSCGKSA-N 3 2 227.396 1.386 40 0 BDABLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000096523799 385268553 /nfs/dbraw/zinc/26/85/53/385268553.db2.gz HOGARXFHDOYYGB-ZDUSSCGKSA-N 3 2 227.396 1.386 40 0 BDABLP Cc1n[nH]c(C)c1CCC[N@@H+]1CCC[NH2+]CC1 ZINC000096523650 385268667 /nfs/dbraw/zinc/26/86/67/385268667.db2.gz OCCMJHCKWDPOGZ-UHFFFAOYSA-N 2 2 236.363 1.254 40 0 BDABLP Cc1n[nH]c(C)c1CCC[N@H+]1CCC[NH2+]CC1 ZINC000096523650 385268669 /nfs/dbraw/zinc/26/86/69/385268669.db2.gz OCCMJHCKWDPOGZ-UHFFFAOYSA-N 2 2 236.363 1.254 40 0 BDABLP CCC[C@H]([NH3+])C[N@H+](C)CCc1c(C)noc1C ZINC000096523975 385272106 /nfs/dbraw/zinc/27/21/06/385272106.db2.gz UFFPDDBJNKNAMW-LBPRGKRZSA-N 2 2 239.363 1.893 40 0 BDABLP CCC[C@H]([NH3+])C[N@@H+](C)CCc1c(C)noc1C ZINC000096523975 385272111 /nfs/dbraw/zinc/27/21/11/385272111.db2.gz UFFPDDBJNKNAMW-LBPRGKRZSA-N 2 2 239.363 1.893 40 0 BDABLP [NH3+]C[C@@H]([NH3+])c1ccccc1Br ZINC000034155392 386072560 /nfs/dbraw/zinc/07/25/60/386072560.db2.gz PAMGDOWWTHYUTI-MRVPVSSYSA-N 2 2 215.094 1.408 40 0 BDABLP C[NH2+][C@@H](C[NH3+])c1ccccc1Br ZINC000050269918 387954141 /nfs/dbraw/zinc/95/41/41/387954141.db2.gz GPFZOTUSZMDDIF-VIFPVBQESA-N 2 2 229.121 1.668 40 0 BDABLP COc1ccc([C@H]2C[N@H+](C)C[C@@H]2[NH3+])cc1OC ZINC000216411824 388355539 /nfs/dbraw/zinc/35/55/39/388355539.db2.gz IKTSEWAJPWGXLC-MNOVXSKESA-N 2 2 236.315 1.060 40 0 BDABLP COc1ccc([C@H]2C[N@@H+](C)C[C@@H]2[NH3+])cc1OC ZINC000216411824 388355540 /nfs/dbraw/zinc/35/55/40/388355540.db2.gz IKTSEWAJPWGXLC-MNOVXSKESA-N 2 2 236.315 1.060 40 0 BDABLP CC(C)N1Cc2c[nH+]cn2[C@H](C[NH+](C)C)C1 ZINC000248125739 167034821 /nfs/dbraw/zinc/03/48/21/167034821.db2.gz ONKJSZPMQAYKCX-GFCCVEGCSA-N 2 2 222.336 1.210 40 0 BDABLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CO2)C1 ZINC000096510523 172029563 /nfs/dbraw/zinc/02/95/63/172029563.db2.gz LBACWQHVIOANBO-VXGBXAGGSA-N 2 2 235.331 1.481 40 0 BDABLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000096510523 172029564 /nfs/dbraw/zinc/02/95/64/172029564.db2.gz LBACWQHVIOANBO-VXGBXAGGSA-N 2 2 235.331 1.481 40 0 BDABLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC000096511172 173033811 /nfs/dbraw/zinc/03/38/11/173033811.db2.gz YBKZMBOJZAMGAS-GFCCVEGCSA-N 2 2 205.305 1.265 40 0 BDABLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC000096511172 173033812 /nfs/dbraw/zinc/03/38/12/173033812.db2.gz YBKZMBOJZAMGAS-GFCCVEGCSA-N 2 2 205.305 1.265 40 0 BDABLP C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]12 ZINC000096251808 173140602 /nfs/dbraw/zinc/14/06/02/173140602.db2.gz HMPCVUFHIWQIKI-UONOGXRCSA-N 2 2 216.328 1.622 40 0 BDABLP C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]12 ZINC000096251808 173140604 /nfs/dbraw/zinc/14/06/04/173140604.db2.gz HMPCVUFHIWQIKI-UONOGXRCSA-N 2 2 216.328 1.622 40 0 BDABLP C[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccc(Cl)cc2)C1 ZINC000082952757 173183752 /nfs/dbraw/zinc/18/37/52/173183752.db2.gz LUHOAPONKQKMFS-GHMZBOCLSA-N 2 2 210.708 1.696 40 0 BDABLP C[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccc(Cl)cc2)C1 ZINC000082952757 173183756 /nfs/dbraw/zinc/18/37/56/173183756.db2.gz LUHOAPONKQKMFS-GHMZBOCLSA-N 2 2 210.708 1.696 40 0 BDABLP COc1ccc(Br)cc1[C@@H]([NH3+])C[NH3+] ZINC000035676945 175051466 /nfs/dbraw/zinc/05/14/66/175051466.db2.gz ATBIEYPQQNXRMC-QMMMGPOBSA-N 2 2 245.120 1.416 40 0 BDABLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1C ZINC000038539692 490186575 /nfs/dbraw/zinc/18/65/75/490186575.db2.gz INHCQUCRPMSGEX-CYBMUJFWSA-N 2 2 234.343 1.927 40 0 BDABLP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1C ZINC000038539692 490186580 /nfs/dbraw/zinc/18/65/80/490186580.db2.gz INHCQUCRPMSGEX-CYBMUJFWSA-N 2 2 234.343 1.927 40 0 BDABLP CCOc1ccc([C@H]2C[N@H+](C)C[C@@H]2[NH3+])cc1 ZINC000217662425 398322474 /nfs/dbraw/zinc/32/24/74/398322474.db2.gz GQILZPOUUGGDAF-OLZOCXBDSA-N 2 2 220.316 1.442 40 0 BDABLP CCOc1ccc([C@H]2C[N@@H+](C)C[C@@H]2[NH3+])cc1 ZINC000217662425 398322476 /nfs/dbraw/zinc/32/24/76/398322476.db2.gz GQILZPOUUGGDAF-OLZOCXBDSA-N 2 2 220.316 1.442 40 0 BDABLP C[C@@H](O)C[NH2+]CC[NH2+]C/C=C/c1ccccc1 ZINC000022075256 136277967 /nfs/dbraw/zinc/27/79/67/136277967.db2.gz SXNUHEXNBZRAMU-OQHXTRMZSA-N 2 2 234.343 1.260 40 0 BDABLP Fc1ccc(OCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000036946465 343328285 /nfs/dbraw/zinc/32/82/85/343328285.db2.gz OXMSBZPJNNSZFF-UHFFFAOYSA-N 2 2 238.306 1.500 40 0 BDABLP Fc1ccc(OCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000036946465 343328286 /nfs/dbraw/zinc/32/82/86/343328286.db2.gz OXMSBZPJNNSZFF-UHFFFAOYSA-N 2 2 238.306 1.500 40 0 BDABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)OC ZINC000096528814 343759087 /nfs/dbraw/zinc/75/90/87/343759087.db2.gz HCLGTEXDRCIUDH-GHMZBOCLSA-N 2 2 200.326 1.095 40 0 BDABLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)OC ZINC000096528814 343759088 /nfs/dbraw/zinc/75/90/88/343759088.db2.gz HCLGTEXDRCIUDH-GHMZBOCLSA-N 2 2 200.326 1.095 40 0 BDABLP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1C ZINC000038538727 179080097 /nfs/dbraw/zinc/08/00/97/179080097.db2.gz METRHYZPPLVDES-CYBMUJFWSA-N 2 2 204.317 1.836 40 0 BDABLP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1C ZINC000038538727 179080099 /nfs/dbraw/zinc/08/00/99/179080099.db2.gz METRHYZPPLVDES-CYBMUJFWSA-N 2 2 204.317 1.836 40 0 BDABLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CO2)C1 ZINC000096510522 180270921 /nfs/dbraw/zinc/27/09/21/180270921.db2.gz LMWGTGDTFNJUHL-NWDGAFQWSA-N 2 2 221.304 1.227 40 0 BDABLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000096510522 180270922 /nfs/dbraw/zinc/27/09/22/180270922.db2.gz LMWGTGDTFNJUHL-NWDGAFQWSA-N 2 2 221.304 1.227 40 0 BDABLP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC000038538898 490688789 /nfs/dbraw/zinc/68/87/89/490688789.db2.gz YSYKGJGDOVWJAC-GFCCVEGCSA-N 2 2 220.316 1.537 40 0 BDABLP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC000038538898 490688794 /nfs/dbraw/zinc/68/87/94/490688794.db2.gz YSYKGJGDOVWJAC-GFCCVEGCSA-N 2 2 220.316 1.537 40 0 BDABLP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000032553282 181391849 /nfs/dbraw/zinc/39/18/49/181391849.db2.gz MZVHCSFZBODWPW-GFCCVEGCSA-N 2 2 208.280 1.921 40 0 BDABLP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000032553282 181391847 /nfs/dbraw/zinc/39/18/47/181391847.db2.gz MZVHCSFZBODWPW-GFCCVEGCSA-N 2 2 208.280 1.921 40 0 BDABLP [NH3+]CCc1c[nH+]c(Cc2cccc(F)c2)[nH]1 ZINC000062716574 370090105 /nfs/dbraw/zinc/09/01/05/370090105.db2.gz QJUWPKNTNOJMKF-UHFFFAOYSA-N 2 2 219.263 1.641 40 0 BDABLP [NH3+]CCc1c[nH]c(Cc2cccc(F)c2)[nH+]1 ZINC000062716574 370090108 /nfs/dbraw/zinc/09/01/08/370090108.db2.gz QJUWPKNTNOJMKF-UHFFFAOYSA-N 2 2 219.263 1.641 40 0 BDABLP c1ccc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)nc1 ZINC000096226819 183398233 /nfs/dbraw/zinc/39/82/33/183398233.db2.gz UBQSDDNENFMEHT-CQSZACIVSA-N 2 2 247.342 1.036 40 0 BDABLP c1ccc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)nc1 ZINC000096226819 183398235 /nfs/dbraw/zinc/39/82/35/183398235.db2.gz UBQSDDNENFMEHT-CQSZACIVSA-N 2 2 247.342 1.036 40 0 BDABLP [NH3+]C[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000035677006 384088906 /nfs/dbraw/zinc/08/89/06/384088906.db2.gz OOXAINRQIVQQDU-ZETCQYMHSA-N 2 2 205.088 1.952 40 0 BDABLP c1cn(-c2cc[nH+]c(C3CC[NH2+]CC3)c2)cn1 ZINC000072386543 384218493 /nfs/dbraw/zinc/21/84/93/384218493.db2.gz QLXVNLZRISUCHR-UHFFFAOYSA-N 2 2 228.299 1.734 40 0 BDABLP c1cn(-c2cc([C@H]3CCC[NH2+]3)ccn2)c[nH+]1 ZINC000072386545 384219651 /nfs/dbraw/zinc/21/96/51/384219651.db2.gz IVAMHHWSGYYGJF-LLVKDONJSA-N 2 2 214.272 1.692 40 0 BDABLP CCc1ccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC000096054891 384429138 /nfs/dbraw/zinc/42/91/38/384429138.db2.gz RHCOBWPGWAVOJU-KBPBESRZSA-N 2 2 216.328 1.782 40 0 BDABLP CCc1ccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC000096054891 384429144 /nfs/dbraw/zinc/42/91/44/384429144.db2.gz RHCOBWPGWAVOJU-KBPBESRZSA-N 2 2 216.328 1.782 40 0 BDABLP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000107244594 384957279 /nfs/dbraw/zinc/95/72/79/384957279.db2.gz PAYRGVYUQFNYRC-KGLIPLIRSA-N 2 2 249.333 1.605 40 0 BDABLP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000107244594 384957284 /nfs/dbraw/zinc/95/72/84/384957284.db2.gz PAYRGVYUQFNYRC-KGLIPLIRSA-N 2 2 249.333 1.605 40 0 BDABLP CCC[C@H]([NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000036873526 385587873 /nfs/dbraw/zinc/58/78/73/385587873.db2.gz DGMHJCNMJBCORC-AWEZNQCLSA-N 2 2 247.386 1.936 40 0 BDABLP CC[NH+](CC)c1ccc([C@H]2C[C@]2(C[NH3+])CO)cc1 ZINC000062713433 385698139 /nfs/dbraw/zinc/69/81/39/385698139.db2.gz PBYWNARSXHOGLV-CABCVRRESA-N 2 2 248.370 1.958 40 0 BDABLP [NH3+]Cc1c[nH+]ccc1N1CCCCCC1 ZINC000088114705 386825839 /nfs/dbraw/zinc/82/58/39/386825839.db2.gz IPRDDOXHJQMPIV-UHFFFAOYSA-N 2 2 205.305 1.921 40 0 BDABLP c1csc(C[N@@H+]2CC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000096249224 387026636 /nfs/dbraw/zinc/02/66/36/387026636.db2.gz QJEQDJYDJNMIBW-ZJUUUORDSA-N 2 2 223.345 1.327 40 0 BDABLP c1csc(C[N@H+]2CC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000096249224 387026641 /nfs/dbraw/zinc/02/66/41/387026641.db2.gz QJEQDJYDJNMIBW-ZJUUUORDSA-N 2 2 223.345 1.327 40 0 BDABLP c1csc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000096249223 387026817 /nfs/dbraw/zinc/02/68/17/387026817.db2.gz QJEQDJYDJNMIBW-UWVGGRQHSA-N 2 2 223.345 1.327 40 0 BDABLP c1csc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000096249223 387026823 /nfs/dbraw/zinc/02/68/23/387026823.db2.gz QJEQDJYDJNMIBW-UWVGGRQHSA-N 2 2 223.345 1.327 40 0 BDABLP [NH3+][C@H]1C2CC[NH+](CC2)[C@H]1Cc1ccccc1 ZINC000138644401 387705351 /nfs/dbraw/zinc/70/53/51/387705351.db2.gz XPPMDYURPXXBHC-KBPBESRZSA-N 2 2 216.328 1.651 40 0 BDABLP C[NH2+][C@H](C[NH3+])c1cccc(Br)c1 ZINC000050269851 387954632 /nfs/dbraw/zinc/95/46/32/387954632.db2.gz WPDPRPXAAYBHCN-SECBINFHSA-N 2 2 229.121 1.668 40 0 BDABLP Fc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000095067824 388591022 /nfs/dbraw/zinc/59/10/22/388591022.db2.gz SRKONTQQZJMAAS-LBPRGKRZSA-N 2 2 208.280 1.667 40 0 BDABLP c1csc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000107254787 388615905 /nfs/dbraw/zinc/61/59/05/388615905.db2.gz QJEQDJYDJNMIBW-VHSXEESVSA-N 2 2 223.345 1.327 40 0 BDABLP c1csc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000107254787 388615907 /nfs/dbraw/zinc/61/59/07/388615907.db2.gz QJEQDJYDJNMIBW-VHSXEESVSA-N 2 2 223.345 1.327 40 0 BDABLP c1nc(NC2CC2)cc(NC[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000079439417 388695906 /nfs/dbraw/zinc/69/59/06/388695906.db2.gz YAYOYULBJZUGTM-SNVBAGLBSA-N 2 2 247.346 1.462 40 0 BDABLP c1nc(NC[C@@H]2CCC[NH2+]C2)cc(NC2CC2)[nH+]1 ZINC000079439417 388695908 /nfs/dbraw/zinc/69/59/08/388695908.db2.gz YAYOYULBJZUGTM-SNVBAGLBSA-N 2 2 247.346 1.462 40 0 BDABLP c1nc(NC2CC2)cc(NC[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000079439421 388696078 /nfs/dbraw/zinc/69/60/78/388696078.db2.gz YAYOYULBJZUGTM-JTQLQIEISA-N 2 2 247.346 1.462 40 0 BDABLP c1nc(NC[C@H]2CCC[NH2+]C2)cc(NC2CC2)[nH+]1 ZINC000079439421 388696081 /nfs/dbraw/zinc/69/60/81/388696081.db2.gz YAYOYULBJZUGTM-JTQLQIEISA-N 2 2 247.346 1.462 40 0 BDABLP CNc1[nH+]c([C@@H]2CC[NH2+]C2)c2sccn12 ZINC000257278031 388698073 /nfs/dbraw/zinc/69/80/73/388698073.db2.gz OAMIVFGPMCFYND-SSDOTTSWSA-N 2 2 222.317 1.514 40 0 BDABLP Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1F ZINC000069625675 388724690 /nfs/dbraw/zinc/72/46/90/388724690.db2.gz LHORNKHMDQIFFS-UHFFFAOYSA-N 2 2 222.307 1.929 40 0 BDABLP Cc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1F ZINC000069625675 388724693 /nfs/dbraw/zinc/72/46/93/388724693.db2.gz LHORNKHMDQIFFS-UHFFFAOYSA-N 2 2 222.307 1.929 40 0 BDABLP CC(C)[NH+]1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000035367747 132338218 /nfs/dbraw/zinc/33/82/18/132338218.db2.gz GAPKLZRRWLERHL-UHFFFAOYSA-N 2 2 220.320 1.194 40 0 BDABLP CCOC(=O)[C@@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC000067796536 170257269 /nfs/dbraw/zinc/25/72/69/170257269.db2.gz FXHNJYQAMCFLMU-LBPRGKRZSA-N 2 2 240.347 1.156 40 0 BDABLP CCOC(=O)[C@@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC000067796536 170257270 /nfs/dbraw/zinc/25/72/70/170257270.db2.gz FXHNJYQAMCFLMU-LBPRGKRZSA-N 2 2 240.347 1.156 40 0 BDABLP COc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1 ZINC000032014355 175097863 /nfs/dbraw/zinc/09/78/63/175097863.db2.gz RTWFPGPICCYIOP-UHFFFAOYSA-N 2 2 222.332 1.864 40 0 BDABLP COc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1 ZINC000032014355 175097865 /nfs/dbraw/zinc/09/78/65/175097865.db2.gz RTWFPGPICCYIOP-UHFFFAOYSA-N 2 2 222.332 1.864 40 0 BDABLP COc1ccc([C@H]2C[N@H+](C)C[C@H]2[NH3+])cc1OC ZINC000082331249 175195440 /nfs/dbraw/zinc/19/54/40/175195440.db2.gz IKTSEWAJPWGXLC-GHMZBOCLSA-N 2 2 236.315 1.060 40 0 BDABLP COc1ccc([C@H]2C[N@@H+](C)C[C@H]2[NH3+])cc1OC ZINC000082331249 175195442 /nfs/dbraw/zinc/19/54/42/175195442.db2.gz IKTSEWAJPWGXLC-GHMZBOCLSA-N 2 2 236.315 1.060 40 0 BDABLP Fc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000072202926 487995100 /nfs/dbraw/zinc/99/51/00/487995100.db2.gz YDAFAKBGAQYRFL-GFCCVEGCSA-N 2 2 208.280 1.667 40 0 BDABLP c1cn(-c2nccnc2[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000257197531 398201605 /nfs/dbraw/zinc/20/16/05/398201605.db2.gz CDWVXHJJZHRRCT-JTQLQIEISA-N 2 2 229.287 1.129 40 0 BDABLP Cc1cc(N2CC[C@H]([NH3+])C2)nc(C2CC2)[nH+]1 ZINC000096516987 178119366 /nfs/dbraw/zinc/11/93/66/178119366.db2.gz ULOSNYQBRUZRMV-JTQLQIEISA-N 2 2 218.304 1.200 40 0 BDABLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccccc1 ZINC000001671769 342707998 /nfs/dbraw/zinc/70/79/98/342707998.db2.gz QLBMXOZPLHPOAQ-CQSZACIVSA-N 2 2 236.359 1.479 40 0 BDABLP O=C(CC[NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043220486 342790973 /nfs/dbraw/zinc/79/09/73/342790973.db2.gz NXJWMQUCLPZTME-CYBMUJFWSA-N 2 2 232.327 1.601 40 0 BDABLP Cc1cc[nH+]cc1N(C)C[C@H]1CCCC[NH2+]1 ZINC000252497724 259325956 /nfs/dbraw/zinc/32/59/56/259325956.db2.gz QOKBTUXYOXREHS-GFCCVEGCSA-N 2 2 219.332 1.968 40 0 BDABLP [NH3+][C@@H](Cc1ccccc1)Cn1cc[nH+]c1 ZINC000022115191 343040437 /nfs/dbraw/zinc/04/04/37/343040437.db2.gz XDIMGPCJKRKQDL-LBPRGKRZSA-N 2 2 201.273 1.453 40 0 BDABLP Cc1cccc(C[N@@H+]2CCC[NH2+]CC2)n1 ZINC000022926561 179074899 /nfs/dbraw/zinc/07/48/99/179074899.db2.gz IZBCGANIKATEBW-UHFFFAOYSA-N 2 2 205.305 1.185 40 0 BDABLP Cc1cccc(C[N@H+]2CCC[NH2+]CC2)n1 ZINC000022926561 179074902 /nfs/dbraw/zinc/07/49/02/179074902.db2.gz IZBCGANIKATEBW-UHFFFAOYSA-N 2 2 205.305 1.185 40 0 BDABLP CC[NH+](CC)c1ccc([C@@H]2C[C@@]2(C[NH3+])CO)cc1 ZINC000062713424 259405490 /nfs/dbraw/zinc/40/54/90/259405490.db2.gz PBYWNARSXHOGLV-LSDHHAIUSA-N 2 2 248.370 1.958 40 0 BDABLP Cc1ccsc1C[NH2+]CC[NH2+]C[C@H](C)O ZINC000023254516 350200380 /nfs/dbraw/zinc/20/03/80/350200380.db2.gz KBMAJWIPXKQATR-JTQLQIEISA-N 2 2 228.361 1.117 40 0 BDABLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccn[nH]1 ZINC000105442661 180266418 /nfs/dbraw/zinc/26/64/18/180266418.db2.gz PRRMDOKRQSALNR-SNVBAGLBSA-N 2 2 233.319 1.341 40 0 BDABLP Cc1nn(C)c(C)c1C[N@@H+](C)C[C@@H]([NH3+])C(C)C ZINC000096523752 180336935 /nfs/dbraw/zinc/33/69/35/180336935.db2.gz AQNPWCISKZMJNR-CYBMUJFWSA-N 2 2 238.379 1.452 40 0 BDABLP Cc1nn(C)c(C)c1C[N@H+](C)C[C@@H]([NH3+])C(C)C ZINC000096523752 180336936 /nfs/dbraw/zinc/33/69/36/180336936.db2.gz AQNPWCISKZMJNR-CYBMUJFWSA-N 2 2 238.379 1.452 40 0 BDABLP CC(C)Cn1cc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000256054489 188193820 /nfs/dbraw/zinc/19/38/20/188193820.db2.gz WNOCGKSFZFHUFK-UHFFFAOYSA-N 2 2 238.379 1.580 40 0 BDABLP [NH3+]CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000032553281 181392249 /nfs/dbraw/zinc/39/22/49/181392249.db2.gz ZHHZIWGQQIVSNH-LBPRGKRZSA-N 2 2 208.280 1.921 40 0 BDABLP [NH3+]CC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000032553281 181392250 /nfs/dbraw/zinc/39/22/50/181392250.db2.gz ZHHZIWGQQIVSNH-LBPRGKRZSA-N 2 2 208.280 1.921 40 0 BDABLP [NH3+][C@@]1(c2ccccc2)C[NH+]2CCC1CC2 ZINC000019364642 371133745 /nfs/dbraw/zinc/13/37/45/371133745.db2.gz DJIGNFKTOGQDFW-CYBMUJFWSA-N 2 2 202.301 1.566 40 0 BDABLP [NH3+]C[C@H]([NH3+])c1ccc(Br)cc1 ZINC000035677139 383867225 /nfs/dbraw/zinc/86/72/25/383867225.db2.gz SICBHEQTGNGHHL-QMMMGPOBSA-N 2 2 215.094 1.408 40 0 BDABLP [NH3+]C[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000035677012 384088968 /nfs/dbraw/zinc/08/89/68/384088968.db2.gz RZAHNHAAWBMEIF-ZETCQYMHSA-N 2 2 205.088 1.952 40 0 BDABLP Cc1ccsc1C[N@H+](CC[NH3+])C1CC1 ZINC000079436124 384146703 /nfs/dbraw/zinc/14/67/03/384146703.db2.gz GDCKIVMOIQKOPC-UHFFFAOYSA-N 2 2 210.346 1.980 40 0 BDABLP Cc1ccsc1C[N@@H+](CC[NH3+])C1CC1 ZINC000079436124 384146704 /nfs/dbraw/zinc/14/67/04/384146704.db2.gz GDCKIVMOIQKOPC-UHFFFAOYSA-N 2 2 210.346 1.980 40 0 BDABLP CC(C)[N@@H+]1CCC[C@H]1c1nnc2n1CC[NH+](C)C2 ZINC000072373891 384217727 /nfs/dbraw/zinc/21/77/27/384217727.db2.gz ZLPSZMMVAORANL-NSHDSACASA-N 2 2 249.362 1.269 40 0 BDABLP CC(C)[N@H+]1CCC[C@H]1c1nnc2n1CC[NH+](C)C2 ZINC000072373891 384217728 /nfs/dbraw/zinc/21/77/28/384217728.db2.gz ZLPSZMMVAORANL-NSHDSACASA-N 2 2 249.362 1.269 40 0 BDABLP CC(C)[NH+]1CCC[C@H]1c1nnc2n1CC[N@@H+](C)C2 ZINC000072373891 384217729 /nfs/dbraw/zinc/21/77/29/384217729.db2.gz ZLPSZMMVAORANL-NSHDSACASA-N 2 2 249.362 1.269 40 0 BDABLP CC(C)[NH+]1CCC[C@H]1c1nnc2n1CC[N@H+](C)C2 ZINC000072373891 384217730 /nfs/dbraw/zinc/21/77/30/384217730.db2.gz ZLPSZMMVAORANL-NSHDSACASA-N 2 2 249.362 1.269 40 0 BDABLP Cc1ccn([C@H](C)[C@@H]2CCC[N@@H+]2CC[NH3+])n1 ZINC000022763120 384775086 /nfs/dbraw/zinc/77/50/86/384775086.db2.gz TZNNEOLHPHZQRJ-NEPJUHHUSA-N 2 2 222.336 1.176 40 0 BDABLP Cc1ccn([C@H](C)[C@@H]2CCC[N@H+]2CC[NH3+])n1 ZINC000022763120 384775092 /nfs/dbraw/zinc/77/50/92/384775092.db2.gz TZNNEOLHPHZQRJ-NEPJUHHUSA-N 2 2 222.336 1.176 40 0 BDABLP Cc1nc(N2CC[C@@H]([NH3+])C2)cc(C2CC2)[nH+]1 ZINC000096516912 385255229 /nfs/dbraw/zinc/25/52/29/385255229.db2.gz JYUJLBGXOCTSEG-SNVBAGLBSA-N 2 2 218.304 1.200 40 0 BDABLP CC(C)C[C@@H]([NH3+])C[NH+]1CCSCC1 ZINC000020257460 385668803 /nfs/dbraw/zinc/66/88/03/385668803.db2.gz NFNHGCWRVWTARG-SNVBAGLBSA-N 2 2 202.367 1.409 40 0 BDABLP CCCn1nccc1C[NH2+]CCC[NH+](C)C ZINC000164827077 387853264 /nfs/dbraw/zinc/85/32/64/387853264.db2.gz NGDKKHWFYJNAGA-UHFFFAOYSA-N 2 2 224.352 1.334 40 0 BDABLP Cc1c(C[NH2+]CCC[NH+](C)C)cnn1C(C)C ZINC000256051431 387859305 /nfs/dbraw/zinc/85/93/05/387859305.db2.gz JDHLLGZCFQLCMR-UHFFFAOYSA-N 2 2 238.379 1.814 40 0 BDABLP CCCn1nc(C)cc1C[NH2+]CCC[NH+](C)C ZINC000256052249 387860987 /nfs/dbraw/zinc/86/09/87/387860987.db2.gz MOBIJJJKZJBMMI-UHFFFAOYSA-N 2 2 238.379 1.643 40 0 BDABLP Cc1cc[nH+]cc1N(C)C[C@@H]1CCC[NH2+]C1 ZINC000242718334 388400933 /nfs/dbraw/zinc/40/09/33/388400933.db2.gz XKARMLZKWZCLIT-GFCCVEGCSA-N 2 2 219.332 1.826 40 0 BDABLP [NH3+]C[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439402 388696097 /nfs/dbraw/zinc/69/60/97/388696097.db2.gz XSWBUHPHPZKADG-JTQLQIEISA-N 2 2 247.346 1.226 40 0 BDABLP [NH3+]C[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439402 388696099 /nfs/dbraw/zinc/69/60/99/388696099.db2.gz XSWBUHPHPZKADG-JTQLQIEISA-N 2 2 247.346 1.226 40 0 BDABLP C[NH+](C)C[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000062702158 411220254 /nfs/dbraw/zinc/22/02/54/411220254.db2.gz GHGQETRMMUTEAD-BXKDBHETSA-N 2 2 206.289 1.257 40 0 BDABLP C[NH2+]C1CC[NH+](Cc2cncs2)CC1 ZINC000072203310 173323187 /nfs/dbraw/zinc/32/31/87/173323187.db2.gz BLPVCLMAVLWITR-UHFFFAOYSA-N 2 2 211.334 1.327 40 0 BDABLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000022910246 173381036 /nfs/dbraw/zinc/38/10/36/173381036.db2.gz GSXQCTVTYCDGDP-CYBMUJFWSA-N 2 2 204.317 1.870 40 0 BDABLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000022910246 173381038 /nfs/dbraw/zinc/38/10/38/173381038.db2.gz GSXQCTVTYCDGDP-CYBMUJFWSA-N 2 2 204.317 1.870 40 0 BDABLP COc1ccc(C2(C[N@@H+]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000096523478 175084394 /nfs/dbraw/zinc/08/43/94/175084394.db2.gz CXSADOMALXXCDT-CYBMUJFWSA-N 2 2 246.354 1.760 40 0 BDABLP COc1ccc(C2(C[N@H+]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000096523478 175084396 /nfs/dbraw/zinc/08/43/96/175084396.db2.gz CXSADOMALXXCDT-CYBMUJFWSA-N 2 2 246.354 1.760 40 0 BDABLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000020071387 342968127 /nfs/dbraw/zinc/96/81/27/342968127.db2.gz YDLCAQYNXGDYTM-CYBMUJFWSA-N 2 2 204.317 1.652 40 0 BDABLP Cc1ccccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000043327096 179283884 /nfs/dbraw/zinc/28/38/84/179283884.db2.gz VALRSSHULKTZPQ-ZDUSSCGKSA-N 2 2 204.317 1.837 40 0 BDABLP Cc1ccsc1C[NH2+]CC[NH2+]C[C@@H](C)O ZINC000023254514 350200354 /nfs/dbraw/zinc/20/03/54/350200354.db2.gz KBMAJWIPXKQATR-SNVBAGLBSA-N 2 2 228.361 1.117 40 0 BDABLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CO2)C1 ZINC000096510521 180272579 /nfs/dbraw/zinc/27/25/79/180272579.db2.gz LMWGTGDTFNJUHL-VXGBXAGGSA-N 2 2 221.304 1.227 40 0 BDABLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000096510521 180272580 /nfs/dbraw/zinc/27/25/80/180272580.db2.gz LMWGTGDTFNJUHL-VXGBXAGGSA-N 2 2 221.304 1.227 40 0 BDABLP [NH3+]C1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000019274739 181345272 /nfs/dbraw/zinc/34/52/72/181345272.db2.gz FBWOJJFODRSAPM-UHFFFAOYSA-N 2 2 230.315 1.257 40 0 BDABLP [NH3+]CCC[NH2+]Cc1c(F)cccc1Cl ZINC000037713369 181383539 /nfs/dbraw/zinc/38/35/39/181383539.db2.gz MCBIXZYGSOOZEH-UHFFFAOYSA-N 2 2 216.687 1.918 40 0 BDABLP C[N@@H+]1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1 ZINC000205677841 368357188 /nfs/dbraw/zinc/35/71/88/368357188.db2.gz KVXWJNJPCRJQMX-JTQLQIEISA-N 2 2 243.314 1.473 40 0 BDABLP C[N@H+]1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1 ZINC000205677841 368357191 /nfs/dbraw/zinc/35/71/91/368357191.db2.gz KVXWJNJPCRJQMX-JTQLQIEISA-N 2 2 243.314 1.473 40 0 BDABLP c1ccc(OCCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000036946397 183419152 /nfs/dbraw/zinc/41/91/52/183419152.db2.gz BITFXMSKDCAHKL-UHFFFAOYSA-N 2 2 234.343 1.751 40 0 BDABLP c1ccc(OCCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000036946397 183419153 /nfs/dbraw/zinc/41/91/53/183419153.db2.gz BITFXMSKDCAHKL-UHFFFAOYSA-N 2 2 234.343 1.751 40 0 BDABLP [NH3+]C[C@H]([NH3+])c1cccc(Br)c1 ZINC000035677129 383865728 /nfs/dbraw/zinc/86/57/28/383865728.db2.gz SWWWAQPDPMNNLH-QMMMGPOBSA-N 2 2 215.094 1.408 40 0 BDABLP OCC[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079393475 384133575 /nfs/dbraw/zinc/13/35/75/384133575.db2.gz PKTIFHATFXDHRS-OAHLLOKOSA-N 2 2 248.370 1.623 40 0 BDABLP OCC[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079393475 384133581 /nfs/dbraw/zinc/13/35/81/384133581.db2.gz PKTIFHATFXDHRS-OAHLLOKOSA-N 2 2 248.370 1.623 40 0 BDABLP OCC[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079393472 384132457 /nfs/dbraw/zinc/13/24/57/384132457.db2.gz ZFHGOCAUXHDIIY-AWEZNQCLSA-N 2 2 234.343 1.233 40 0 BDABLP OCC[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079393472 384132463 /nfs/dbraw/zinc/13/24/63/384132463.db2.gz ZFHGOCAUXHDIIY-AWEZNQCLSA-N 2 2 234.343 1.233 40 0 BDABLP c1cn(-c2ccc(CC[C@H]3CCC[NH2+]3)nn2)c[nH+]1 ZINC000072386553 384219141 /nfs/dbraw/zinc/21/91/41/384219141.db2.gz ISFPDXKHOCQVAD-LLVKDONJSA-N 2 2 243.314 1.347 40 0 BDABLP CC(C)COc1ccccc1C[NH2+]CC[NH3+] ZINC000072226337 385125770 /nfs/dbraw/zinc/12/57/70/385125770.db2.gz OUURGWNLSFZCDG-UHFFFAOYSA-N 2 2 222.332 1.770 40 0 BDABLP Cc1cc(N2CCC([NH3+])CC2)nc(C2CC2)[nH+]1 ZINC000096516957 385255240 /nfs/dbraw/zinc/25/52/40/385255240.db2.gz MIPZPEXCUNGTEA-UHFFFAOYSA-N 2 2 232.331 1.590 40 0 BDABLP COC(=O)c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000036754640 387847717 /nfs/dbraw/zinc/84/77/17/387847717.db2.gz HIIRZONXDHZZJJ-UHFFFAOYSA-N 2 2 248.326 1.396 40 0 BDABLP Cc1c(F)cccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000038538750 388371255 /nfs/dbraw/zinc/37/12/55/388371255.db2.gz LBFCVGIBSUPAFG-LLVKDONJSA-N 2 2 208.280 1.667 40 0 BDABLP Cc1c(F)cccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000038538750 388371257 /nfs/dbraw/zinc/37/12/57/388371257.db2.gz LBFCVGIBSUPAFG-LLVKDONJSA-N 2 2 208.280 1.667 40 0 BDABLP CC[C@H](C)[C@H]([NH3+])C[NH+]1CCSCC1 ZINC000020257453 388759254 /nfs/dbraw/zinc/75/92/54/388759254.db2.gz DXYMWDCYWUJHRU-VHSXEESVSA-N 2 2 202.367 1.409 40 0 BDABLP C[N@H+](CCc1ccncc1)C[C@H]1CCCC[NH2+]1 ZINC000096319907 388816453 /nfs/dbraw/zinc/81/64/53/388816453.db2.gz PEROXZZSQGVHGQ-CQSZACIVSA-N 2 2 233.359 1.698 40 0 BDABLP C[N@@H+](CCc1ccncc1)C[C@H]1CCCC[NH2+]1 ZINC000096319907 388816461 /nfs/dbraw/zinc/81/64/61/388816461.db2.gz PEROXZZSQGVHGQ-CQSZACIVSA-N 2 2 233.359 1.698 40 0 BDABLP CC[C@@](C(N)=[NH2+])(c1ccccc1)[NH+](C)C ZINC000001681337 171162240 /nfs/dbraw/zinc/16/22/40/171162240.db2.gz DWHSFAHUKWWLSI-LBPRGKRZSA-N 2 2 205.305 1.789 40 0 BDABLP c1ccc(N2CCOC3(CC[NH2+]CC3)C2)[nH+]c1 ZINC000306143219 132227172 /nfs/dbraw/zinc/22/71/72/132227172.db2.gz XWPQKIJIVNSVPF-UHFFFAOYSA-N 2 2 233.315 1.040 40 0 BDABLP CCN(CC)c1cc(N2CCC[C@@H]([NH3+])C2)nc[nH+]1 ZINC000040434360 132347578 /nfs/dbraw/zinc/34/75/78/132347578.db2.gz HNTDVXCZODVPAX-LLVKDONJSA-N 2 2 249.362 1.250 40 0 BDABLP C[N@@H+]1CCC[C@@H](c2cnc(-n3cc[nH+]c3)cn2)C1 ZINC000072386558 173022488 /nfs/dbraw/zinc/02/24/88/173022488.db2.gz ANZSZKZBXQVQEG-LLVKDONJSA-N 2 2 243.314 1.472 40 0 BDABLP C[N@H+]1CCC[C@@H](c2cnc(-n3cc[nH+]c3)cn2)C1 ZINC000072386558 173022491 /nfs/dbraw/zinc/02/24/91/173022491.db2.gz ANZSZKZBXQVQEG-LLVKDONJSA-N 2 2 243.314 1.472 40 0 BDABLP C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]12 ZINC000096251809 173166952 /nfs/dbraw/zinc/16/69/52/173166952.db2.gz HMPCVUFHIWQIKI-KBPBESRZSA-N 2 2 216.328 1.622 40 0 BDABLP C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]12 ZINC000096251809 173166954 /nfs/dbraw/zinc/16/69/54/173166954.db2.gz HMPCVUFHIWQIKI-KBPBESRZSA-N 2 2 216.328 1.622 40 0 BDABLP COCC[N@@H+](Cc1cccs1)C[C@H](C)[NH3+] ZINC000096523890 174301345 /nfs/dbraw/zinc/30/13/45/174301345.db2.gz PPOYLRZJDSCXJQ-JTQLQIEISA-N 2 2 228.361 1.544 40 0 BDABLP COCC[N@H+](Cc1cccs1)C[C@H](C)[NH3+] ZINC000096523890 174301347 /nfs/dbraw/zinc/30/13/47/174301347.db2.gz PPOYLRZJDSCXJQ-JTQLQIEISA-N 2 2 228.361 1.544 40 0 BDABLP COc1ccc(C[NH2+]CC[NH3+])cc1Cl ZINC000083188722 175106370 /nfs/dbraw/zinc/10/63/70/175106370.db2.gz OCMNXVAUZWCPPE-UHFFFAOYSA-N 2 2 214.696 1.397 40 0 BDABLP COc1cccc(CCC[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000096523490 175251982 /nfs/dbraw/zinc/25/19/82/175251982.db2.gz GMAMMKSADRNOBM-CYBMUJFWSA-N 2 2 234.343 1.661 40 0 BDABLP COc1cccc(CCC[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000096523490 175251983 /nfs/dbraw/zinc/25/19/83/175251983.db2.gz GMAMMKSADRNOBM-CYBMUJFWSA-N 2 2 234.343 1.661 40 0 BDABLP COc1cccc([C@H]2C[N@H+](C)C[C@@H]2[NH3+])c1 ZINC000217662026 175295616 /nfs/dbraw/zinc/29/56/16/175295616.db2.gz CVUZDGAQAXALIR-NEPJUHHUSA-N 2 2 206.289 1.052 40 0 BDABLP COc1cccc([C@H]2C[N@@H+](C)C[C@@H]2[NH3+])c1 ZINC000217662026 175295618 /nfs/dbraw/zinc/29/56/18/175295618.db2.gz CVUZDGAQAXALIR-NEPJUHHUSA-N 2 2 206.289 1.052 40 0 BDABLP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC000034620316 342726337 /nfs/dbraw/zinc/72/63/37/342726337.db2.gz RSXGAEPLEHQTKS-NWDGAFQWSA-N 2 2 222.332 1.217 40 0 BDABLP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC000034620316 342726338 /nfs/dbraw/zinc/72/63/38/342726338.db2.gz RSXGAEPLEHQTKS-NWDGAFQWSA-N 2 2 222.332 1.217 40 0 BDABLP Clc1cccc([C@H]2C[NH2+]CCC[NH2+]2)c1 ZINC000022462327 343049211 /nfs/dbraw/zinc/04/92/11/343049211.db2.gz FDYNAFFLXZQHDJ-LLVKDONJSA-N 2 2 210.708 1.964 40 0 BDABLP [NH3+][C@H]1CCCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000041029871 343784492 /nfs/dbraw/zinc/78/44/92/343784492.db2.gz QHMHLVLAIGTQKA-NSHDSACASA-N 2 2 230.315 1.257 40 0 BDABLP Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)n1 ZINC000107253822 179083958 /nfs/dbraw/zinc/08/39/58/179083958.db2.gz AHVXPEUFMDJJBF-WDNDVIMCSA-N 2 2 231.343 1.382 40 0 BDABLP Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)n1 ZINC000107253822 179083959 /nfs/dbraw/zinc/08/39/59/179083959.db2.gz AHVXPEUFMDJJBF-WDNDVIMCSA-N 2 2 231.343 1.382 40 0 BDABLP CC(C)[N@H+](CC[NH3+])Cc1ccc(Cl)nc1 ZINC000079421599 188118094 /nfs/dbraw/zinc/11/80/94/188118094.db2.gz IIMBWTFVMCNHKS-UHFFFAOYSA-N 2 2 227.739 1.904 40 0 BDABLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(Cl)nc1 ZINC000079421599 188118095 /nfs/dbraw/zinc/11/80/95/188118095.db2.gz IIMBWTFVMCNHKS-UHFFFAOYSA-N 2 2 227.739 1.904 40 0 BDABLP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000032553283 181391901 /nfs/dbraw/zinc/39/19/01/181391901.db2.gz MZVHCSFZBODWPW-LBPRGKRZSA-N 2 2 208.280 1.921 40 0 BDABLP [NH3+]CC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000032553283 181391903 /nfs/dbraw/zinc/39/19/03/181391903.db2.gz MZVHCSFZBODWPW-LBPRGKRZSA-N 2 2 208.280 1.921 40 0 BDABLP [NH3+]CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000032012080 181390692 /nfs/dbraw/zinc/39/06/92/181390692.db2.gz YPLWPISNSAPNGB-UHFFFAOYSA-N 2 2 208.305 1.983 40 0 BDABLP [NH3+]CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000032012080 181390694 /nfs/dbraw/zinc/39/06/94/181390694.db2.gz YPLWPISNSAPNGB-UHFFFAOYSA-N 2 2 208.305 1.983 40 0 BDABLP [NH3+]Cc1c[nH+]cn1CCc1ccccc1 ZINC000075126460 370090032 /nfs/dbraw/zinc/09/00/32/370090032.db2.gz ORDUVXANEBPSPG-UHFFFAOYSA-N 2 2 201.273 1.585 40 0 BDABLP CC[N@@H+](Cc1ccncc1)C[C@@H]([NH3+])C(C)C ZINC000042516898 384153774 /nfs/dbraw/zinc/15/37/74/384153774.db2.gz ZBHJGBGPACUAAC-CYBMUJFWSA-N 2 2 221.348 1.887 40 0 BDABLP CC[N@H+](Cc1ccncc1)C[C@@H]([NH3+])C(C)C ZINC000042516898 384153779 /nfs/dbraw/zinc/15/37/79/384153779.db2.gz ZBHJGBGPACUAAC-CYBMUJFWSA-N 2 2 221.348 1.887 40 0 BDABLP c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)[nH+]c1 ZINC000096209218 384442071 /nfs/dbraw/zinc/44/20/71/384442071.db2.gz RELYYHJESFSLRE-DGCLKSJQSA-N 2 2 233.315 1.405 40 0 BDABLP C[C@](C[NH3+])(c1ccccc1)[NH+]1CCCC1 ZINC000070453375 384563084 /nfs/dbraw/zinc/56/30/84/384563084.db2.gz PFCQTLKUFBZCCE-ZDUSSCGKSA-N 2 2 204.317 1.956 40 0 BDABLP CCOc1ccc(CC[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000057954334 385100109 /nfs/dbraw/zinc/10/01/09/385100109.db2.gz QCAIUVLHPUCGMC-ZDUSSCGKSA-N 2 2 234.343 1.661 40 0 BDABLP CCOc1ccc(CC[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000057954334 385100118 /nfs/dbraw/zinc/10/01/18/385100118.db2.gz QCAIUVLHPUCGMC-ZDUSSCGKSA-N 2 2 234.343 1.661 40 0 BDABLP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cn1 ZINC000096523615 385268178 /nfs/dbraw/zinc/26/81/78/385268178.db2.gz KQASOOUAYSDJEF-ZDUSSCGKSA-N 2 2 219.332 1.703 40 0 BDABLP Cc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cn1 ZINC000096523615 385268182 /nfs/dbraw/zinc/26/81/82/385268182.db2.gz KQASOOUAYSDJEF-ZDUSSCGKSA-N 2 2 219.332 1.703 40 0 BDABLP CSCC[C@@H]([NH3+])C[NH+]1CCSCC1 ZINC000096523866 385272424 /nfs/dbraw/zinc/27/24/24/385272424.db2.gz XJHMNKQFVRZWDU-SECBINFHSA-N 2 2 220.407 1.116 40 0 BDABLP C([C@H]1CCCC[NH2+]1)[NH+]1CCSCC1 ZINC000020257468 385668976 /nfs/dbraw/zinc/66/89/76/385668976.db2.gz TUIXDAZMOPIOKB-SNVBAGLBSA-N 2 2 200.351 1.177 40 0 BDABLP C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC000257317690 385765033 /nfs/dbraw/zinc/76/50/33/385765033.db2.gz VKUNSVPFKSWEQH-CQSZACIVSA-N 2 2 246.358 1.708 40 0 BDABLP C[NH+]1CCC([N@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC000257317690 385765038 /nfs/dbraw/zinc/76/50/38/385765038.db2.gz VKUNSVPFKSWEQH-CQSZACIVSA-N 2 2 246.358 1.708 40 0 BDABLP CSc1ncc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000062718333 385727114 /nfs/dbraw/zinc/72/71/14/385727114.db2.gz VJBAXXGUXGCECI-UHFFFAOYSA-N 2 2 240.376 1.240 40 0 BDABLP [NH3+]C[C@H](c1ccc2c(c1)CCO2)[NH+]1CCCC1 ZINC000037363614 386230352 /nfs/dbraw/zinc/23/03/52/386230352.db2.gz VBVBMDSLBHOHFL-CYBMUJFWSA-N 2 2 232.327 1.717 40 0 BDABLP Cc1nc(N2CCC[C@@H]([NH3+])C2)cc(C2CC2)[nH+]1 ZINC000575415066 387021483 /nfs/dbraw/zinc/02/14/83/387021483.db2.gz NMNSSEYTETZRFN-LLVKDONJSA-N 2 2 232.331 1.590 40 0 BDABLP Cc1cc[nH+]cc1N(C)C[C@@H]1CCC[NH2+]1 ZINC000242400333 388580819 /nfs/dbraw/zinc/58/08/19/388580819.db2.gz AUPAGPRASRBFRG-NSHDSACASA-N 2 2 205.305 1.578 40 0 BDABLP Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)cn1 ZINC000062076105 388649637 /nfs/dbraw/zinc/64/96/37/388649637.db2.gz YYGFTZXIYHOPJB-UHFFFAOYSA-N 2 2 205.305 1.185 40 0 BDABLP Cc1ccc(C[N@H+]2CCC[NH2+]CC2)cn1 ZINC000062076105 388649641 /nfs/dbraw/zinc/64/96/41/388649641.db2.gz YYGFTZXIYHOPJB-UHFFFAOYSA-N 2 2 205.305 1.185 40 0 BDABLP COc1ccc([NH2+]C[C@H]2C[C@@H]2C[NH3+])cc1 ZINC000096509430 175151758 /nfs/dbraw/zinc/15/17/58/175151758.db2.gz AYYUYSZJLIVLND-NXEZZACHSA-N 2 2 206.289 1.702 40 0 BDABLP CC[NH+](CC)CCC[NH2+]Cc1cnn(C)c1 ZINC000020075164 520621954 /nfs/dbraw/zinc/62/19/54/520621954.db2.gz FEOBJONVJXTWSV-UHFFFAOYSA-N 2 2 224.352 1.242 40 0 BDABLP CC(C)c1cc(C[NH+]2CCC([NH3+])CC2)on1 ZINC000012398762 342851262 /nfs/dbraw/zinc/85/12/62/342851262.db2.gz BUIJNFHRMIBSOI-UHFFFAOYSA-N 2 2 223.320 1.721 40 0 BDABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1cccc(Cl)c1 ZINC000022074867 136278122 /nfs/dbraw/zinc/27/81/22/136278122.db2.gz HAJZPFSRNPYYRZ-JTQLQIEISA-N 2 2 242.750 1.400 40 0 BDABLP Cc1nc(N2CCC[NH2+]CC2)c2c([nH+]1)CCC2 ZINC000096516914 180067330 /nfs/dbraw/zinc/06/73/30/180067330.db2.gz PPUHJNUQKJMSHJ-UHFFFAOYSA-N 2 2 232.331 1.073 40 0 BDABLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000038539862 350318099 /nfs/dbraw/zinc/31/80/99/350318099.db2.gz JPAGPIYHOBHMCB-NSHDSACASA-N 2 2 206.289 1.315 40 0 BDABLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000038539862 350318102 /nfs/dbraw/zinc/31/81/02/350318102.db2.gz JPAGPIYHOBHMCB-NSHDSACASA-N 2 2 206.289 1.315 40 0 BDABLP CC[NH+]1CCN(c2ccc(CCO)c(C)[nH+]2)CC1 ZINC000072224687 259532834 /nfs/dbraw/zinc/53/28/34/259532834.db2.gz OJTOMZOLRZVECC-UHFFFAOYSA-N 2 2 249.358 1.067 40 0 BDABLP [NH3+]CC[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000072226463 181396505 /nfs/dbraw/zinc/39/65/05/181396505.db2.gz WSOVTXOUZLWKHQ-UHFFFAOYSA-N 2 2 248.248 1.676 40 0 BDABLP CCOc1ccc([C@@H]2C[N@H+](C)C[C@H]2[NH3+])cc1 ZINC000242495791 259544579 /nfs/dbraw/zinc/54/45/79/259544579.db2.gz GQILZPOUUGGDAF-QWHCGFSZSA-N 2 2 220.316 1.442 40 0 BDABLP CCOc1ccc([C@@H]2C[N@@H+](C)C[C@H]2[NH3+])cc1 ZINC000242495791 259544583 /nfs/dbraw/zinc/54/45/83/259544583.db2.gz GQILZPOUUGGDAF-QWHCGFSZSA-N 2 2 220.316 1.442 40 0 BDABLP CCCOc1ccc([C@H]2C[N@H+](C)C[C@@H]2[NH3+])cc1 ZINC000217662623 169322651 /nfs/dbraw/zinc/32/26/51/169322651.db2.gz IQRLYFZCLWBADM-KGLIPLIRSA-N 2 2 234.343 1.832 40 0 BDABLP CCCOc1ccc([C@H]2C[N@@H+](C)C[C@@H]2[NH3+])cc1 ZINC000217662623 169322652 /nfs/dbraw/zinc/32/26/52/169322652.db2.gz IQRLYFZCLWBADM-KGLIPLIRSA-N 2 2 234.343 1.832 40 0 BDABLP c1cn(-c2cnc([C@H]3CCC[NH2+]C3)cn2)c[nH+]1 ZINC000072386550 183465504 /nfs/dbraw/zinc/46/55/04/183465504.db2.gz QMIBXJIJRMRNHD-JTQLQIEISA-N 2 2 229.287 1.129 40 0 BDABLP c1cn(-c2cc([C@@H]3CCC[NH2+]3)ccn2)c[nH+]1 ZINC000072386544 384219480 /nfs/dbraw/zinc/21/94/80/384219480.db2.gz IVAMHHWSGYYGJF-NSHDSACASA-N 2 2 214.272 1.692 40 0 BDABLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1C ZINC000096082177 384433453 /nfs/dbraw/zinc/43/34/53/384433453.db2.gz QUTUEZLUADMCHH-KBPBESRZSA-N 2 2 216.328 1.836 40 0 BDABLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1C ZINC000096082177 384433456 /nfs/dbraw/zinc/43/34/56/384433456.db2.gz QUTUEZLUADMCHH-KBPBESRZSA-N 2 2 216.328 1.836 40 0 BDABLP CCc1cc(N2CCC([NH3+])CC2)nc(C2CC2)[nH+]1 ZINC000096516958 385254729 /nfs/dbraw/zinc/25/47/29/385254729.db2.gz IIFIMNCRRRQTMN-UHFFFAOYSA-N 2 2 246.358 1.844 40 0 BDABLP Cn1cccc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000096523618 385269108 /nfs/dbraw/zinc/26/91/08/385269108.db2.gz LICOREMQXJUMQE-LLVKDONJSA-N 2 2 207.321 1.338 40 0 BDABLP Cn1cccc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000096523618 385269111 /nfs/dbraw/zinc/26/91/11/385269111.db2.gz LICOREMQXJUMQE-LLVKDONJSA-N 2 2 207.321 1.338 40 0 BDABLP c1ccc2c(c1)[nH]c1c2CC[NH2+][C@@]12CCC[NH2+]C2 ZINC000034182486 385272571 /nfs/dbraw/zinc/27/25/71/385272571.db2.gz PHAZVTAAYUDKTB-OAHLLOKOSA-N 2 2 241.338 1.892 40 0 BDABLP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000038538982 385668129 /nfs/dbraw/zinc/66/81/29/385668129.db2.gz GWJKUDFNNQPDET-CYBMUJFWSA-N 2 2 204.317 1.836 40 0 BDABLP Cc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000038538982 385668131 /nfs/dbraw/zinc/66/81/31/385668131.db2.gz GWJKUDFNNQPDET-CYBMUJFWSA-N 2 2 204.317 1.836 40 0 BDABLP c1cn(-c2nccnc2[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000257197532 385753555 /nfs/dbraw/zinc/75/35/55/385753555.db2.gz CDWVXHJJZHRRCT-SNVBAGLBSA-N 2 2 229.287 1.129 40 0 BDABLP C[C@H]1CCCCN1c1cc[nH+]cc1C[NH3+] ZINC000088114676 386823496 /nfs/dbraw/zinc/82/34/96/386823496.db2.gz SIOYKWWMUXARSI-JTQLQIEISA-N 2 2 205.305 1.919 40 0 BDABLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000095067836 388591031 /nfs/dbraw/zinc/59/10/31/388591031.db2.gz RGCSVCJROHGGOU-ZDUSSCGKSA-N 2 2 204.317 1.837 40 0 BDABLP [NH3+]C[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424923 411164486 /nfs/dbraw/zinc/16/44/86/411164486.db2.gz JLMCDYSDCCEFAP-QMMMGPOBSA-N 2 2 205.088 1.952 40 0 BDABLP COCCC[N@@H+](Cc1cccs1)C[C@H](C)[NH3+] ZINC000096523886 174226117 /nfs/dbraw/zinc/22/61/17/174226117.db2.gz YTEKXFGWTXFFPE-NSHDSACASA-N 2 2 242.388 1.934 40 0 BDABLP COCCC[N@H+](Cc1cccs1)C[C@H](C)[NH3+] ZINC000096523886 174226118 /nfs/dbraw/zinc/22/61/18/174226118.db2.gz YTEKXFGWTXFFPE-NSHDSACASA-N 2 2 242.388 1.934 40 0 BDABLP COc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000096523486 175089355 /nfs/dbraw/zinc/08/93/55/175089355.db2.gz LOPALQJPUHTKSZ-CYBMUJFWSA-N 2 2 234.343 1.661 40 0 BDABLP COc1ccc(CCC[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000096523486 175089356 /nfs/dbraw/zinc/08/93/56/175089356.db2.gz LOPALQJPUHTKSZ-CYBMUJFWSA-N 2 2 234.343 1.661 40 0 BDABLP COc1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000022942129 175260193 /nfs/dbraw/zinc/26/01/93/175260193.db2.gz YFXLADVUIYRKLL-NSHDSACASA-N 2 2 206.289 1.228 40 0 BDABLP COc1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000022942129 175260194 /nfs/dbraw/zinc/26/01/94/175260194.db2.gz YFXLADVUIYRKLL-NSHDSACASA-N 2 2 206.289 1.228 40 0 BDABLP CC(C)Oc1ccc(C[NH2+]CC[NH3+])cc1 ZINC000037712861 323107940 /nfs/dbraw/zinc/10/79/40/323107940.db2.gz CISNJOMYVUIJGB-UHFFFAOYSA-N 2 2 208.305 1.522 40 0 BDABLP [NH3+]C[C@@H](c1ccccn1)[NH+]1CCCCC1 ZINC000019399287 398191731 /nfs/dbraw/zinc/19/17/31/398191731.db2.gz QIRZLLAMECDOKM-LBPRGKRZSA-N 2 2 205.305 1.567 40 0 BDABLP Cc1cc(N2CCC[NH2+]CC2)nc(C2CC2)[nH+]1 ZINC000096517007 178114370 /nfs/dbraw/zinc/11/43/70/178114370.db2.gz JBESAVFTFJACJN-UHFFFAOYSA-N 2 2 232.331 1.462 40 0 BDABLP Cn1c2ccccc2[nH+]c1N1CCC([NH3+])CC1 ZINC000043220325 342790859 /nfs/dbraw/zinc/79/08/59/342790859.db2.gz UOPRCTVQDPOJNY-UHFFFAOYSA-N 2 2 230.315 1.501 40 0 BDABLP Cc1ccc(C[N@H+](CC[NH3+])C2CC2)cc1 ZINC000032010390 343290929 /nfs/dbraw/zinc/29/09/29/343290929.db2.gz DLZGKJSVRYNJMG-UHFFFAOYSA-N 2 2 204.317 1.918 40 0 BDABLP Cc1ccc(C[N@@H+](CC[NH3+])C2CC2)cc1 ZINC000032010390 343290930 /nfs/dbraw/zinc/29/09/30/343290930.db2.gz DLZGKJSVRYNJMG-UHFFFAOYSA-N 2 2 204.317 1.918 40 0 BDABLP CC(C)[N@H+](CC[NH3+])Cc1ccc(F)cc1 ZINC000032012411 343291298 /nfs/dbraw/zinc/29/12/98/343291298.db2.gz WSSKKSCARMMASU-UHFFFAOYSA-N 2 2 210.296 1.995 40 0 BDABLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(F)cc1 ZINC000032012411 343291299 /nfs/dbraw/zinc/29/12/99/343291299.db2.gz WSSKKSCARMMASU-UHFFFAOYSA-N 2 2 210.296 1.995 40 0 BDABLP CC[NH+](CC)CC[NH2+]C1CCOCC1 ZINC000036304009 343314781 /nfs/dbraw/zinc/31/47/81/343314781.db2.gz CDYPJRSSWDJFKT-UHFFFAOYSA-N 2 2 200.326 1.097 40 0 BDABLP CCn1cc(C[N@H+](CC)C[C@H](C)[NH3+])c(C)n1 ZINC000096523899 343758587 /nfs/dbraw/zinc/75/85/87/343758587.db2.gz ZMGIJVHYNRRDHE-JTQLQIEISA-N 2 2 224.352 1.381 40 0 BDABLP CCn1cc(C[N@@H+](CC)C[C@H](C)[NH3+])c(C)n1 ZINC000096523899 343758588 /nfs/dbraw/zinc/75/85/88/343758588.db2.gz ZMGIJVHYNRRDHE-JTQLQIEISA-N 2 2 224.352 1.381 40 0 BDABLP [NH2+]=C(C[NH+]1CCCCC1)N1CCCCC1 ZINC000001733271 181185140 /nfs/dbraw/zinc/18/51/40/181185140.db2.gz DJQMUZRUDSQWOX-UHFFFAOYSA-N 2 2 209.337 1.935 40 0 BDABLP [NH3+]CC[N@@H+]1CCC[C@H]1CCCn1cccn1 ZINC000022763155 181391777 /nfs/dbraw/zinc/39/17/77/181391777.db2.gz VKLFHQOQSBLRNB-LBPRGKRZSA-N 2 2 222.336 1.086 40 0 BDABLP [NH3+]CC[N@H+]1CCC[C@H]1CCCn1cccn1 ZINC000022763155 181391778 /nfs/dbraw/zinc/39/17/78/181391778.db2.gz VKLFHQOQSBLRNB-LBPRGKRZSA-N 2 2 222.336 1.086 40 0 BDABLP c1cc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cs1 ZINC000096202792 183339528 /nfs/dbraw/zinc/33/95/28/183339528.db2.gz ZUPXEXRGMQNZMK-UHFFFAOYSA-N 2 2 208.330 1.543 40 0 BDABLP c1cc(C[N@H+]2CCC3(C[NH2+]C3)C2)cs1 ZINC000096202792 183339530 /nfs/dbraw/zinc/33/95/30/183339530.db2.gz ZUPXEXRGMQNZMK-UHFFFAOYSA-N 2 2 208.330 1.543 40 0 BDABLP c1cn2c(cccc2[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000082382061 183363399 /nfs/dbraw/zinc/36/33/99/183363399.db2.gz PFMNHWAGCRBKBK-JTQLQIEISA-N 2 2 201.273 1.801 40 0 BDABLP Cn1nc(C2CC2)cc1C[NH+]1CCC([NH3+])CC1 ZINC000012396958 384317528 /nfs/dbraw/zinc/31/75/28/384317528.db2.gz NGPWYWMHDKINCA-UHFFFAOYSA-N 2 2 234.347 1.221 40 0 BDABLP [NH3+]C[C@H](c1cccc(F)c1)[NH+]1CCCC1 ZINC000019259835 384660588 /nfs/dbraw/zinc/66/05/88/384660588.db2.gz GDHHNWNPIHRNHF-GFCCVEGCSA-N 2 2 208.280 1.921 40 0 BDABLP c1c(N2CC[NH2+]CC2)nc(C2CC2)[nH+]c1C1CC1 ZINC000096516924 385256235 /nfs/dbraw/zinc/25/62/35/385256235.db2.gz ULLGTRXHLVLOQJ-UHFFFAOYSA-N 2 2 244.342 1.641 40 0 BDABLP CCc1cc(N2CC[C@H]([NH3+])C2)nc(C2CC2)[nH+]1 ZINC000096516989 385255773 /nfs/dbraw/zinc/25/57/73/385255773.db2.gz ZJNBFODVSDFLOJ-JTQLQIEISA-N 2 2 232.331 1.454 40 0 BDABLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000095097559 385436960 /nfs/dbraw/zinc/43/69/60/385436960.db2.gz WKYAMPGIQNSEHE-DGCLKSJQSA-N 2 2 219.332 1.956 40 0 BDABLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000095097559 385436964 /nfs/dbraw/zinc/43/69/64/385436964.db2.gz WKYAMPGIQNSEHE-DGCLKSJQSA-N 2 2 219.332 1.956 40 0 BDABLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccncn2)CC1 ZINC000257242035 385756274 /nfs/dbraw/zinc/75/62/74/385756274.db2.gz IATSKTODWFLPPM-AWEZNQCLSA-N 2 2 246.358 1.708 40 0 BDABLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2ccncn2)CC1 ZINC000257242035 385756278 /nfs/dbraw/zinc/75/62/78/385756278.db2.gz IATSKTODWFLPPM-AWEZNQCLSA-N 2 2 246.358 1.708 40 0 BDABLP C[NH+](C)C[C@H]1COc2ccccc2[C@H]1[NH3+] ZINC000062702164 411220364 /nfs/dbraw/zinc/22/03/64/411220364.db2.gz GHGQETRMMUTEAD-CABZTGNLSA-N 2 2 206.289 1.257 40 0 BDABLP COc1ccc(F)c(C[NH+]2CCC([NH3+])CC2)c1 ZINC000038539916 175124716 /nfs/dbraw/zinc/12/47/16/175124716.db2.gz HDASMGOLBWXRIQ-UHFFFAOYSA-N 2 2 238.306 1.757 40 0 BDABLP COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000022942126 175259404 /nfs/dbraw/zinc/25/94/04/175259404.db2.gz YFXLADVUIYRKLL-LLVKDONJSA-N 2 2 206.289 1.228 40 0 BDABLP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000022942126 175259407 /nfs/dbraw/zinc/25/94/07/175259407.db2.gz YFXLADVUIYRKLL-LLVKDONJSA-N 2 2 206.289 1.228 40 0 BDABLP C[C@@H](c1cnccn1)[N@H+](C)C1CC[NH2+]CC1 ZINC000072203843 176035205 /nfs/dbraw/zinc/03/52/05/176035205.db2.gz ZSDRVHYYBUTYDC-JTQLQIEISA-N 2 2 220.320 1.221 40 0 BDABLP C[C@@H](c1cnccn1)[N@@H+](C)C1CC[NH2+]CC1 ZINC000072203843 176035208 /nfs/dbraw/zinc/03/52/08/176035208.db2.gz ZSDRVHYYBUTYDC-JTQLQIEISA-N 2 2 220.320 1.221 40 0 BDABLP Cn1c2ccccc2[nH+]c1N1CCC[C@H]([NH3+])C1 ZINC000043220326 342790906 /nfs/dbraw/zinc/79/09/06/342790906.db2.gz BCLHKEHYRYFDLN-JTQLQIEISA-N 2 2 230.315 1.501 40 0 BDABLP CC[NH+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043401967 342794256 /nfs/dbraw/zinc/79/42/56/342794256.db2.gz YDLVEWWOCXACCB-UHFFFAOYSA-N 2 2 212.297 1.105 40 0 BDABLP C[C@@H]([NH3+])CN(C)c1cn[nH+]c2ccccc21 ZINC000082592540 259323291 /nfs/dbraw/zinc/32/32/91/259323291.db2.gz APOMUAPISQOARN-SECBINFHSA-N 2 2 216.288 1.413 40 0 BDABLP CCc1cc(C[NH+]2CCC([NH3+])CC2)on1 ZINC000012398767 342851307 /nfs/dbraw/zinc/85/13/07/342851307.db2.gz PVFZXSUFRONJHM-UHFFFAOYSA-N 2 2 209.293 1.160 40 0 BDABLP C[N@@H+]1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1 ZINC000205677856 348572434 /nfs/dbraw/zinc/57/24/34/348572434.db2.gz KVXWJNJPCRJQMX-SNVBAGLBSA-N 2 2 243.314 1.473 40 0 BDABLP C[N@H+]1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1 ZINC000205677856 348572438 /nfs/dbraw/zinc/57/24/38/348572438.db2.gz KVXWJNJPCRJQMX-SNVBAGLBSA-N 2 2 243.314 1.473 40 0 BDABLP C[NH+](CCC[N@H+](C)CCC[NH3+])Cc1ccccc1 ZINC000685936231 538755316 /nfs/dbraw/zinc/75/53/16/538755316.db2.gz LTZGZJMNMUWVRF-UHFFFAOYSA-N 3 2 249.402 1.789 40 0 BDABLP C[NH+](CCC[N@@H+](C)CCC[NH3+])Cc1ccccc1 ZINC000685936231 538755326 /nfs/dbraw/zinc/75/53/26/538755326.db2.gz LTZGZJMNMUWVRF-UHFFFAOYSA-N 3 2 249.402 1.789 40 0 BDABLP C[NH+](CCC[NH3+])CCC[N@H+](C)Cc1ccccc1 ZINC000685936231 538755329 /nfs/dbraw/zinc/75/53/29/538755329.db2.gz LTZGZJMNMUWVRF-UHFFFAOYSA-N 3 2 249.402 1.789 40 0 BDABLP C[NH+](CCC[NH3+])CCC[N@@H+](C)Cc1ccccc1 ZINC000685936231 538755337 /nfs/dbraw/zinc/75/53/37/538755337.db2.gz LTZGZJMNMUWVRF-UHFFFAOYSA-N 3 2 249.402 1.789 40 0 BDABLP [NH3+]C1CCN(Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000082694490 181344643 /nfs/dbraw/zinc/34/46/43/181344643.db2.gz ISTGIMNRWJIWTJ-UHFFFAOYSA-N 2 2 248.305 1.397 40 0 BDABLP [NH3+]C1CC[NH+](Cc2cnn(CC3CC3)c2)CC1 ZINC000328579651 181345139 /nfs/dbraw/zinc/34/51/39/181345139.db2.gz UYKIYBVFWWRKMQ-UHFFFAOYSA-N 2 2 234.347 1.216 40 0 BDABLP COc1cccc([C@H]2C[N@H+](C)C[C@H]2[NH3+])c1 ZINC000074184981 369867847 /nfs/dbraw/zinc/86/78/47/369867847.db2.gz CVUZDGAQAXALIR-VXGBXAGGSA-N 2 2 206.289 1.052 40 0 BDABLP COc1cccc([C@H]2C[N@@H+](C)C[C@H]2[NH3+])c1 ZINC000074184981 369867849 /nfs/dbraw/zinc/86/78/49/369867849.db2.gz CVUZDGAQAXALIR-VXGBXAGGSA-N 2 2 206.289 1.052 40 0 BDABLP [NH3+]C[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000035677011 384088609 /nfs/dbraw/zinc/08/86/09/384088609.db2.gz RZAHNHAAWBMEIF-SSDOTTSWSA-N 2 2 205.088 1.952 40 0 BDABLP CC(C)[NH+]1CCC(c2c[nH+]cn2CCO)CC1 ZINC000072356948 384211254 /nfs/dbraw/zinc/21/12/54/384211254.db2.gz NMFYXJPYQOGGNR-UHFFFAOYSA-N 2 2 237.347 1.463 40 0 BDABLP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000096241247 384445160 /nfs/dbraw/zinc/44/51/60/384445160.db2.gz PAYRGVYUQFNYRC-KBPBESRZSA-N 2 2 249.333 1.605 40 0 BDABLP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000096241247 384445166 /nfs/dbraw/zinc/44/51/66/384445166.db2.gz PAYRGVYUQFNYRC-KBPBESRZSA-N 2 2 249.333 1.605 40 0 BDABLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1 ZINC000096082172 384435274 /nfs/dbraw/zinc/43/52/74/384435274.db2.gz AXMRCBHFAITPLG-KBPBESRZSA-N 2 2 216.328 1.836 40 0 BDABLP Cc1cc(C)cc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1 ZINC000096082172 384435279 /nfs/dbraw/zinc/43/52/79/384435279.db2.gz AXMRCBHFAITPLG-KBPBESRZSA-N 2 2 216.328 1.836 40 0 BDABLP Cc1noc(C)c1[C@H]1CCC[N@@H+]1CC[NH3+] ZINC000022763037 384774168 /nfs/dbraw/zinc/77/41/68/384774168.db2.gz XLOVCVALEQYLTK-SNVBAGLBSA-N 2 2 209.293 1.387 40 0 BDABLP Cc1noc(C)c1[C@H]1CCC[N@H+]1CC[NH3+] ZINC000022763037 384774175 /nfs/dbraw/zinc/77/41/75/384774175.db2.gz XLOVCVALEQYLTK-SNVBAGLBSA-N 2 2 209.293 1.387 40 0 BDABLP Cc1[nH+]c(C2CC2)nc(N2CC[NH2+]CC2)c1C ZINC000096516925 385256713 /nfs/dbraw/zinc/25/67/13/385256713.db2.gz QVADOAHQEHJZTD-UHFFFAOYSA-N 2 2 232.331 1.380 40 0 BDABLP [NH3+][C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000050242961 385471982 /nfs/dbraw/zinc/47/19/82/385471982.db2.gz KSKCHOMALLABJE-LLVKDONJSA-N 2 2 224.279 1.238 40 0 BDABLP [NH3+][C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000050242961 385471989 /nfs/dbraw/zinc/47/19/89/385471989.db2.gz KSKCHOMALLABJE-LLVKDONJSA-N 2 2 224.279 1.238 40 0 BDABLP C[NH2+][C@H](C[NH3+])c1cc(Br)ccc1F ZINC000050269865 387955021 /nfs/dbraw/zinc/95/50/21/387955021.db2.gz OMTKJAYXDQFZKH-SECBINFHSA-N 2 2 247.111 1.807 40 0 BDABLP [NH3+]CC[NH+]1CCC(Oc2ccc(O)cc2)CC1 ZINC000242547849 388399474 /nfs/dbraw/zinc/39/94/74/388399474.db2.gz KWKZMBDBELIFQC-UHFFFAOYSA-N 2 2 236.315 1.194 40 0 BDABLP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccco1)C2 ZINC000107244615 388615933 /nfs/dbraw/zinc/61/59/33/388615933.db2.gz MQMYWDNJWFITHN-OLZOCXBDSA-N 2 2 238.306 1.803 40 0 BDABLP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccco1)C2 ZINC000107244615 388615936 /nfs/dbraw/zinc/61/59/36/388615936.db2.gz MQMYWDNJWFITHN-OLZOCXBDSA-N 2 2 238.306 1.803 40 0 BDABLP CC[NH+](CC)c1ccc([C@H]2C[C@@]2(C[NH3+])CO)cc1 ZINC000062713427 388655408 /nfs/dbraw/zinc/65/54/08/388655408.db2.gz PBYWNARSXHOGLV-HUUCEWRRSA-N 2 2 248.370 1.958 40 0 BDABLP CC(C)[C@@H]([NH3+])C[N@H+](C)CCc1ccccn1 ZINC000020074310 388755132 /nfs/dbraw/zinc/75/51/32/388755132.db2.gz OVVFIILUGDNMOB-ZDUSSCGKSA-N 2 2 221.348 1.539 40 0 BDABLP CC(C)[C@@H]([NH3+])C[N@@H+](C)CCc1ccccn1 ZINC000020074310 388755136 /nfs/dbraw/zinc/75/51/36/388755136.db2.gz OVVFIILUGDNMOB-ZDUSSCGKSA-N 2 2 221.348 1.539 40 0 BDABLP [NH3+]C[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439397 388696051 /nfs/dbraw/zinc/69/60/51/388696051.db2.gz XSWBUHPHPZKADG-SNVBAGLBSA-N 2 2 247.346 1.226 40 0 BDABLP [NH3+]C[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439397 388696052 /nfs/dbraw/zinc/69/60/52/388696052.db2.gz XSWBUHPHPZKADG-SNVBAGLBSA-N 2 2 247.346 1.226 40 0 BDABLP CC[C@H](C)[C@@H]([NH3+])C[N@H+](C)CCc1ccncc1 ZINC000048260176 171372017 /nfs/dbraw/zinc/37/20/17/171372017.db2.gz MSXXWKCWHXGNDA-JSGCOSHPSA-N 2 2 235.375 1.929 40 0 BDABLP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](C)CCc1ccncc1 ZINC000048260176 171372019 /nfs/dbraw/zinc/37/20/19/171372019.db2.gz MSXXWKCWHXGNDA-JSGCOSHPSA-N 2 2 235.375 1.929 40 0 BDABLP C[N@@H+]1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096206548 173142089 /nfs/dbraw/zinc/14/20/89/173142089.db2.gz NLSVDFSDMKQQBJ-TZMCWYRMSA-N 2 2 247.342 1.747 40 0 BDABLP C[N@H+]1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096206548 173142092 /nfs/dbraw/zinc/14/20/92/173142092.db2.gz NLSVDFSDMKQQBJ-TZMCWYRMSA-N 2 2 247.342 1.747 40 0 BDABLP COc1ccccc1C[N@H+](CC[NH3+])C(C)C ZINC000032014353 175325517 /nfs/dbraw/zinc/32/55/17/175325517.db2.gz ZWTDOIYOQSVEAI-UHFFFAOYSA-N 2 2 222.332 1.864 40 0 BDABLP COc1ccccc1C[N@@H+](CC[NH3+])C(C)C ZINC000032014353 175325519 /nfs/dbraw/zinc/32/55/19/175325519.db2.gz ZWTDOIYOQSVEAI-UHFFFAOYSA-N 2 2 222.332 1.864 40 0 BDABLP Cc1[nH]c2ccc(NC(=O)[C@@H]3CC[NH2+]C3)cc2[nH+]1 ZINC000062114009 180081834 /nfs/dbraw/zinc/08/18/34/180081834.db2.gz KJDHOGVMLQRYFL-SECBINFHSA-N 2 2 244.298 1.419 40 0 BDABLP Cc1nn(C)c(C)c1C[N@H+](C)C[C@H]([NH3+])C(C)C ZINC000096523751 180336269 /nfs/dbraw/zinc/33/62/69/180336269.db2.gz AQNPWCISKZMJNR-ZDUSSCGKSA-N 2 2 238.379 1.452 40 0 BDABLP Cc1nn(C)c(C)c1C[N@@H+](C)C[C@H]([NH3+])C(C)C ZINC000096523751 180336267 /nfs/dbraw/zinc/33/62/67/180336267.db2.gz AQNPWCISKZMJNR-ZDUSSCGKSA-N 2 2 238.379 1.452 40 0 BDABLP [NH3+]C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000058827012 181345252 /nfs/dbraw/zinc/34/52/52/181345252.db2.gz BPRKIKNLVZACAX-UHFFFAOYSA-N 2 2 226.270 1.888 40 0 BDABLP [NH3+]C[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000035677138 383867121 /nfs/dbraw/zinc/86/71/21/383867121.db2.gz SICBHEQTGNGHHL-MRVPVSSYSA-N 2 2 215.094 1.408 40 0 BDABLP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]3)C2)cc1 ZINC000085223548 384928883 /nfs/dbraw/zinc/92/88/83/384928883.db2.gz DMEVQAIDIWCDNI-ZDUSSCGKSA-N 2 2 202.301 1.624 40 0 BDABLP c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]3)C2)cc1 ZINC000085223548 384928889 /nfs/dbraw/zinc/92/88/89/384928889.db2.gz DMEVQAIDIWCDNI-ZDUSSCGKSA-N 2 2 202.301 1.624 40 0 BDABLP CCOCCOc1ccccc1C[NH2+]CC[NH3+] ZINC000072226465 385126415 /nfs/dbraw/zinc/12/64/15/385126415.db2.gz NFPBIFPEQUZWQX-UHFFFAOYSA-N 2 2 238.331 1.150 40 0 BDABLP [NH3+][C@H]1CCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000096517001 385256320 /nfs/dbraw/zinc/25/63/20/385256320.db2.gz UUSMPJPFXRDPOK-NSHDSACASA-N 2 2 244.342 1.769 40 0 BDABLP Cc1noc(C)c1CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000096523592 385268959 /nfs/dbraw/zinc/26/89/59/385268959.db2.gz YGNXHYFQHCYZKL-GFCCVEGCSA-N 2 2 237.347 1.647 40 0 BDABLP Cc1noc(C)c1CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000096523592 385268966 /nfs/dbraw/zinc/26/89/66/385268966.db2.gz YGNXHYFQHCYZKL-GFCCVEGCSA-N 2 2 237.347 1.647 40 0 BDABLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000096523546 385269122 /nfs/dbraw/zinc/26/91/22/385269122.db2.gz KISPTFPFIAPUTP-CYBMUJFWSA-N 2 2 234.343 1.927 40 0 BDABLP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000096523546 385269127 /nfs/dbraw/zinc/26/91/27/385269127.db2.gz KISPTFPFIAPUTP-CYBMUJFWSA-N 2 2 234.343 1.927 40 0 BDABLP [NH3+][C@@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC000096523496 385269844 /nfs/dbraw/zinc/26/98/44/385269844.db2.gz DJDYVYHPPKNEJB-GFCCVEGCSA-N 2 2 227.311 1.768 40 0 BDABLP [NH3+][C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000096523496 385269849 /nfs/dbraw/zinc/26/98/49/385269849.db2.gz DJDYVYHPPKNEJB-GFCCVEGCSA-N 2 2 227.311 1.768 40 0 BDABLP CC[C@H]([NH3+])CN(C)c1cn[nH+]c2ccccc21 ZINC000095097473 385427407 /nfs/dbraw/zinc/42/74/07/385427407.db2.gz CROBULOUGXKZIL-JTQLQIEISA-N 2 2 230.315 1.803 40 0 BDABLP Cc1cc(C)[n+](CCc2c[nH]c[nH+]2)c(C)c1 ZINC000006187776 386473068 /nfs/dbraw/zinc/47/30/68/386473068.db2.gz OTRDYFGWTSDQPE-UHFFFAOYSA-N 2 2 216.308 1.865 40 0 in-vitro BDABLP C[NH2+][C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000050269869 387955533 /nfs/dbraw/zinc/95/55/33/387955533.db2.gz RBMGQIGSLPNJAN-SECBINFHSA-N 2 2 247.111 1.807 40 0 BDABLP C[NH2+][C@@H](C[NH3+])c1cccc(Br)c1 ZINC000050269850 387955666 /nfs/dbraw/zinc/95/56/66/387955666.db2.gz WPDPRPXAAYBHCN-VIFPVBQESA-N 2 2 229.121 1.668 40 0 BDABLP C[NH2+]C1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000079439425 388695919 /nfs/dbraw/zinc/69/59/19/388695919.db2.gz NHFLJUKVOAXQJJ-UHFFFAOYSA-N 2 2 247.346 1.239 40 0 BDABLP C[NH2+]C1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000079439425 388695921 /nfs/dbraw/zinc/69/59/21/388695921.db2.gz NHFLJUKVOAXQJJ-UHFFFAOYSA-N 2 2 247.346 1.239 40 0 BDABLP CC[C@H](C)n1nccc1C[NH2+]CCC[NH+](C)C ZINC000256049551 398040696 /nfs/dbraw/zinc/04/06/96/398040696.db2.gz AKHJHOUKXQTUJS-LBPRGKRZSA-N 2 2 238.379 1.895 40 0 BDABLP CCn1ncc(C)c1C[NH2+]CCC[NH+](C)C ZINC000256050674 172254672 /nfs/dbraw/zinc/25/46/72/172254672.db2.gz GCBUEYVYKFOFIG-UHFFFAOYSA-N 2 2 224.352 1.253 40 0 BDABLP C[N@@H+]1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350491 173023670 /nfs/dbraw/zinc/02/36/70/173023670.db2.gz FYLHNAPUXRZQEA-LLVKDONJSA-N 2 2 243.314 1.472 40 0 BDABLP C[N@H+]1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350491 173023672 /nfs/dbraw/zinc/02/36/72/173023672.db2.gz FYLHNAPUXRZQEA-LLVKDONJSA-N 2 2 243.314 1.472 40 0 BDABLP COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCC[NH2+][C@@H]32)cc1 ZINC000257201049 175196071 /nfs/dbraw/zinc/19/60/71/175196071.db2.gz AFZABOLGCUAUMB-RBSFLKMASA-N 2 2 246.354 1.845 40 0 BDABLP COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCC[NH2+][C@@H]32)cc1 ZINC000257201049 175196073 /nfs/dbraw/zinc/19/60/73/175196073.db2.gz AFZABOLGCUAUMB-RBSFLKMASA-N 2 2 246.354 1.845 40 0 BDABLP COc1ccccc1[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000032553272 175349022 /nfs/dbraw/zinc/34/90/22/175349022.db2.gz GSHJKQGKUVWUDF-LBPRGKRZSA-N 2 2 220.316 1.791 40 0 BDABLP COc1ccccc1[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000032553272 175349024 /nfs/dbraw/zinc/34/90/24/175349024.db2.gz GSHJKQGKUVWUDF-LBPRGKRZSA-N 2 2 220.316 1.791 40 0 BDABLP CCOc1ccc([C@@H]2C[N@H+](C)C[C@@H]2[NH3+])cc1 ZINC000217662345 398322950 /nfs/dbraw/zinc/32/29/50/398322950.db2.gz GQILZPOUUGGDAF-STQMWFEESA-N 2 2 220.316 1.442 40 0 BDABLP CCOc1ccc([C@@H]2C[N@@H+](C)C[C@@H]2[NH3+])cc1 ZINC000217662345 398322954 /nfs/dbraw/zinc/32/29/54/398322954.db2.gz GQILZPOUUGGDAF-STQMWFEESA-N 2 2 220.316 1.442 40 0 BDABLP C[NH2+][C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000050269831 259370047 /nfs/dbraw/zinc/37/00/47/259370047.db2.gz RLWOABABNDOCBI-SECBINFHSA-N 2 2 218.222 1.925 40 0 BDABLP CCn1cc(C[N@H+](CC)C[C@@H](C)[NH3+])c(C)n1 ZINC000096523898 343758609 /nfs/dbraw/zinc/75/86/09/343758609.db2.gz ZMGIJVHYNRRDHE-SNVBAGLBSA-N 2 2 224.352 1.381 40 0 BDABLP CCn1cc(C[N@@H+](CC)C[C@@H](C)[NH3+])c(C)n1 ZINC000096523898 343758610 /nfs/dbraw/zinc/75/86/10/343758610.db2.gz ZMGIJVHYNRRDHE-SNVBAGLBSA-N 2 2 224.352 1.381 40 0 BDABLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)OC ZINC000096528817 343758906 /nfs/dbraw/zinc/75/89/06/343758906.db2.gz HCLGTEXDRCIUDH-MNOVXSKESA-N 2 2 200.326 1.095 40 0 BDABLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)OC ZINC000096528817 343758908 /nfs/dbraw/zinc/75/89/08/343758908.db2.gz HCLGTEXDRCIUDH-MNOVXSKESA-N 2 2 200.326 1.095 40 0 BDABLP CC[NH+]1CCC(Oc2cc[nH+]cc2N)CC1 ZINC000096526683 343760075 /nfs/dbraw/zinc/76/00/75/343760075.db2.gz WYFFINQNQBWRGJ-UHFFFAOYSA-N 2 2 221.304 1.527 40 0 BDABLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCSCC1 ZINC000020257465 259403160 /nfs/dbraw/zinc/40/31/60/259403160.db2.gz LOAVXSJBCMTOHM-CYBMUJFWSA-N 2 2 236.384 1.605 40 0 BDABLP C[NH+](C)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363709 350476438 /nfs/dbraw/zinc/47/64/38/350476438.db2.gz ZCEQUXCLMBTVIP-LLVKDONJSA-N 2 2 206.289 1.183 40 0 BDABLP OCC[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079393470 188292156 /nfs/dbraw/zinc/29/21/56/188292156.db2.gz ZFHGOCAUXHDIIY-CQSZACIVSA-N 2 2 234.343 1.233 40 0 BDABLP OCC[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079393470 188292158 /nfs/dbraw/zinc/29/21/58/188292158.db2.gz ZFHGOCAUXHDIIY-CQSZACIVSA-N 2 2 234.343 1.233 40 0 BDABLP Cn1c[nH+]cc1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000257302096 188369298 /nfs/dbraw/zinc/36/92/98/188369298.db2.gz SBNJGOHVWDGACV-UHFFFAOYSA-N 2 2 245.330 1.523 40 0 BDABLP Cn1cccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000005066066 353554155 /nfs/dbraw/zinc/55/41/55/353554155.db2.gz NKAIMZFDQFPEJG-UHFFFAOYSA-N 2 2 218.304 1.402 40 0 BDABLP [NH3+]C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000026515162 181345147 /nfs/dbraw/zinc/34/51/47/181345147.db2.gz OURHYPJOGGGKIL-UHFFFAOYSA-N 2 2 226.270 1.888 40 0 BDABLP CC[C@@H](C)[C@@H]([NH3+])C[N@H+](C)CCc1ccccn1 ZINC000020074324 371227191 /nfs/dbraw/zinc/22/71/91/371227191.db2.gz SDYMBIVUPANRCP-OCCSQVGLSA-N 2 2 235.375 1.929 40 0 BDABLP CC[C@@H](C)[C@@H]([NH3+])C[N@@H+](C)CCc1ccccn1 ZINC000020074324 371227193 /nfs/dbraw/zinc/22/71/93/371227193.db2.gz SDYMBIVUPANRCP-OCCSQVGLSA-N 2 2 235.375 1.929 40 0 BDABLP [NH3+]C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000035677096 383865682 /nfs/dbraw/zinc/86/56/82/383865682.db2.gz PZUVTQYOKUMPDY-MRVPVSSYSA-N 2 2 204.195 1.664 40 0 BDABLP C[NH+](C)CC(C[NH+](C)C)[C@H](O)c1ccccc1 ZINC000001610074 383911750 /nfs/dbraw/zinc/91/17/50/383911750.db2.gz SQIRUSMYBMFOTE-CQSZACIVSA-N 2 2 236.359 1.459 40 0 BDABLP C[C@@H]([NH3+])C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062036376 384134225 /nfs/dbraw/zinc/13/42/25/384134225.db2.gz UTIBOHILZIMKDJ-GFCCVEGCSA-N 3 2 225.380 1.141 40 0 BDABLP CN(C)c1cc([C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000072344138 384208491 /nfs/dbraw/zinc/20/84/91/384208491.db2.gz SJBZEOCNDLWMEO-LLVKDONJSA-N 2 2 205.305 1.615 40 0 BDABLP Cc1nc(N(C)C)cc(CC2CC[NH+](C)CC2)[nH+]1 ZINC000072352113 384210577 /nfs/dbraw/zinc/21/05/77/384210577.db2.gz PFRCAMSCYHRASA-UHFFFAOYSA-N 2 2 248.374 1.735 40 0 BDABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(CC2CC2)C1 ZINC000096059187 384432336 /nfs/dbraw/zinc/43/23/36/384432336.db2.gz RJYKWIKFRHPLFY-ZDUSSCGKSA-N 2 2 248.374 1.287 40 0 BDABLP c1cn(C[C@H]2COc3ccccc3C[NH2+]2)c[nH+]1 ZINC000019375589 384519292 /nfs/dbraw/zinc/51/92/92/384519292.db2.gz YFVQBQZOORMJEK-LBPRGKRZSA-N 2 2 229.283 1.434 40 0 BDABLP [NH3+]C[C@H](C1CCCCC1)[NH+]1CCOCC1 ZINC000022172202 384738601 /nfs/dbraw/zinc/73/86/01/384738601.db2.gz MNRJTKDARAKRQA-GFCCVEGCSA-N 2 2 212.337 1.226 40 0 BDABLP Cc1[nH+]c(C2CC2)nc(N2CC[C@@H]([NH3+])C2)c1C ZINC000096517004 385255174 /nfs/dbraw/zinc/25/51/74/385255174.db2.gz QULLAIXYHOPNAZ-LLVKDONJSA-N 2 2 232.331 1.508 40 0 BDABLP Cc1nc(N2CC[NH2+]CC2)cc(C2CC2)[nH+]1 ZINC000096516873 385315086 /nfs/dbraw/zinc/31/50/86/385315086.db2.gz ZORQEDSLNFRANT-UHFFFAOYSA-N 2 2 218.304 1.072 40 0 BDABLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cn1 ZINC000096523614 385266821 /nfs/dbraw/zinc/26/68/21/385266821.db2.gz KQASOOUAYSDJEF-CYBMUJFWSA-N 2 2 219.332 1.703 40 0 BDABLP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cn1 ZINC000096523614 385266827 /nfs/dbraw/zinc/26/68/27/385266827.db2.gz KQASOOUAYSDJEF-CYBMUJFWSA-N 2 2 219.332 1.703 40 0 BDABLP Cc1c[nH]c([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)[nH+]1 ZINC000257205712 385752820 /nfs/dbraw/zinc/75/28/20/385752820.db2.gz BAIDXHDMFXGYAZ-LLVKDONJSA-N 2 2 243.314 1.810 40 0 BDABLP Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1C ZINC000247931581 386739105 /nfs/dbraw/zinc/73/91/05/386739105.db2.gz QUTUEZLUADMCHH-ZIAGYGMSSA-N 2 2 216.328 1.836 40 0 BDABLP Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1C ZINC000247931581 386739111 /nfs/dbraw/zinc/73/91/11/386739111.db2.gz QUTUEZLUADMCHH-ZIAGYGMSSA-N 2 2 216.328 1.836 40 0 BDABLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000242701702 388400877 /nfs/dbraw/zinc/40/08/77/388400877.db2.gz WKYAMPGIQNSEHE-YPMHNXCESA-N 2 2 219.332 1.956 40 0 BDABLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000242701702 388400878 /nfs/dbraw/zinc/40/08/78/388400878.db2.gz WKYAMPGIQNSEHE-YPMHNXCESA-N 2 2 219.332 1.956 40 0 BDABLP C[N@@H+](Cc1cn2c(n1)C[NH2+]CC2)Cc1ccco1 ZINC000107491782 388616771 /nfs/dbraw/zinc/61/67/71/388616771.db2.gz LBMQRXDRRCNCJA-UHFFFAOYSA-N 2 2 246.314 1.211 40 0 BDABLP C[N@H+](Cc1cn2c(n1)C[NH2+]CC2)Cc1ccco1 ZINC000107491782 388616772 /nfs/dbraw/zinc/61/67/72/388616772.db2.gz LBMQRXDRRCNCJA-UHFFFAOYSA-N 2 2 246.314 1.211 40 0 BDABLP [NH3+]C1(C[NH+]2CCSCC2)CCCCC1 ZINC000020257429 388759647 /nfs/dbraw/zinc/75/96/47/388759647.db2.gz XWNOCDVHSRSSCR-UHFFFAOYSA-N 2 2 214.378 1.697 40 0 BDABLP Cc1nc(N2CC[NH2+]CC2)c2c([nH+]1)CCCC2 ZINC000079752350 132304034 /nfs/dbraw/zinc/30/40/34/132304034.db2.gz LWBREEXGJSHLEV-UHFFFAOYSA-N 2 2 232.331 1.073 40 0 BDABLP CCN(CC)c1cc(N2CCC[C@H]([NH3+])C2)nc[nH+]1 ZINC000040434359 132347588 /nfs/dbraw/zinc/34/75/88/132347588.db2.gz HNTDVXCZODVPAX-NSHDSACASA-N 2 2 249.362 1.250 40 0 BDABLP C[NH+](C)C[C@@H]1COc2ccccc2[C@H]1[NH3+] ZINC000062702162 411220455 /nfs/dbraw/zinc/22/04/55/411220455.db2.gz GHGQETRMMUTEAD-SKDRFNHKSA-N 2 2 206.289 1.257 40 0 BDABLP CC1CC[NH+]([C@H](C[NH3+])c2cccnc2)CC1 ZINC000019771667 168188022 /nfs/dbraw/zinc/18/80/22/168188022.db2.gz FHSGAHODISKNAP-CYBMUJFWSA-N 2 2 219.332 1.813 40 0 BDABLP C[N@@H+]1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000257312722 173057900 /nfs/dbraw/zinc/05/79/00/173057900.db2.gz UPGQRBODTWHSLA-NSHDSACASA-N 2 2 229.287 1.429 40 0 BDABLP C[N@H+]1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000257312722 173057904 /nfs/dbraw/zinc/05/79/04/173057904.db2.gz UPGQRBODTWHSLA-NSHDSACASA-N 2 2 229.287 1.429 40 0 BDABLP C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]12 ZINC000248111886 173168502 /nfs/dbraw/zinc/16/85/02/173168502.db2.gz HMPCVUFHIWQIKI-KGLIPLIRSA-N 2 2 216.328 1.622 40 0 BDABLP C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]12 ZINC000248111886 173168505 /nfs/dbraw/zinc/16/85/05/173168505.db2.gz HMPCVUFHIWQIKI-KGLIPLIRSA-N 2 2 216.328 1.622 40 0 BDABLP COc1ccc(CC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000043323984 175092772 /nfs/dbraw/zinc/09/27/72/175092772.db2.gz OPGHXKVZVJJUIO-ZDUSSCGKSA-N 2 2 234.343 1.579 40 0 BDABLP COc1cccc([C@H]2C[NH2+]CCC[NH2+]2)c1 ZINC000022015867 175295591 /nfs/dbraw/zinc/29/55/91/175295591.db2.gz VRYOISCBTBWRJF-GFCCVEGCSA-N 2 2 206.289 1.319 40 0 BDABLP COC(=O)CC[NH2+]CCCCCC[NH+]1CC1 ZINC000001667812 342707612 /nfs/dbraw/zinc/70/76/12/342707612.db2.gz CAKYWOVQRFNRMO-UHFFFAOYSA-N 2 2 228.336 1.015 40 0 BDABLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccccn1)C2 ZINC000020523922 344457123 /nfs/dbraw/zinc/45/71/23/344457123.db2.gz XUHJBQSEWUKEAD-AGUYFDCRSA-N 2 2 231.343 1.796 40 0 BDABLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccccn1)C2 ZINC000020523922 344457125 /nfs/dbraw/zinc/45/71/25/344457125.db2.gz XUHJBQSEWUKEAD-AGUYFDCRSA-N 2 2 231.343 1.796 40 0 BDABLP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1C ZINC000038538730 179082791 /nfs/dbraw/zinc/08/27/91/179082791.db2.gz METRHYZPPLVDES-ZDUSSCGKSA-N 2 2 204.317 1.836 40 0 BDABLP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1C ZINC000038538730 179082792 /nfs/dbraw/zinc/08/27/92/179082792.db2.gz METRHYZPPLVDES-ZDUSSCGKSA-N 2 2 204.317 1.836 40 0 BDABLP Cc1[nH+]c([C@@H]2CC[NH2+]C2)c2sccn12 ZINC000257260889 180045180 /nfs/dbraw/zinc/04/51/80/180045180.db2.gz LEXVMNPQIKUQID-MRVPVSSYSA-N 2 2 207.302 1.781 40 0 BDABLP CC(=O)N(C[C@@H]1CCCC[N@@H+]1CC[NH3+])C(C)C ZINC000079416824 188291995 /nfs/dbraw/zinc/29/19/95/188291995.db2.gz HOMPHCRCVGAXQC-ZDUSSCGKSA-N 2 2 241.379 1.057 40 0 BDABLP CC(=O)N(C[C@@H]1CCCC[N@H+]1CC[NH3+])C(C)C ZINC000079416824 188291997 /nfs/dbraw/zinc/29/19/97/188291997.db2.gz HOMPHCRCVGAXQC-ZDUSSCGKSA-N 2 2 241.379 1.057 40 0 BDABLP CC(=O)N(C[C@H]1CCCC[N@@H+]1CC[NH3+])C(C)C ZINC000079416825 188292181 /nfs/dbraw/zinc/29/21/81/188292181.db2.gz HOMPHCRCVGAXQC-CYBMUJFWSA-N 2 2 241.379 1.057 40 0 BDABLP CC(=O)N(C[C@H]1CCCC[N@H+]1CC[NH3+])C(C)C ZINC000079416825 188292183 /nfs/dbraw/zinc/29/21/83/188292183.db2.gz HOMPHCRCVGAXQC-CYBMUJFWSA-N 2 2 241.379 1.057 40 0 BDABLP NC(=[NH2+])CCn1cc[nH+]c1-c1ccccc1 ZINC000026898097 181186334 /nfs/dbraw/zinc/18/63/34/181186334.db2.gz WOORIPAGNHODTC-UHFFFAOYSA-N 2 2 214.272 1.876 40 0 BDABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)OC ZINC000110768073 369978114 /nfs/dbraw/zinc/97/81/14/369978114.db2.gz HCLGTEXDRCIUDH-WDEREUQCSA-N 2 2 200.326 1.095 40 0 BDABLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)OC ZINC000110768073 369978119 /nfs/dbraw/zinc/97/81/19/369978119.db2.gz HCLGTEXDRCIUDH-WDEREUQCSA-N 2 2 200.326 1.095 40 0 BDABLP C[N@H+](CCc1ccccn1)C[C@@H]1CCCC[NH2+]1 ZINC000020074297 371226778 /nfs/dbraw/zinc/22/67/78/371226778.db2.gz YBJOCACJYAPFLM-AWEZNQCLSA-N 2 2 233.359 1.698 40 0 BDABLP C[N@@H+](CCc1ccccn1)C[C@@H]1CCCC[NH2+]1 ZINC000020074297 371226780 /nfs/dbraw/zinc/22/67/80/371226780.db2.gz YBJOCACJYAPFLM-AWEZNQCLSA-N 2 2 233.359 1.698 40 0 BDABLP CCOc1ccc(C[NH+]2CCC([NH3+])CC2)cn1 ZINC000040434981 373261866 /nfs/dbraw/zinc/26/18/66/373261866.db2.gz LOLAJJWHRQNCGP-UHFFFAOYSA-N 2 2 235.331 1.403 40 0 BDABLP OCC[NH2+]CC[NH2+]Cc1ccc(Cl)cc1 ZINC000023263541 183078214 /nfs/dbraw/zinc/07/82/14/183078214.db2.gz LIEGTVJMDMEZEJ-UHFFFAOYSA-N 2 2 228.723 1.012 40 0 BDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(CC2CC2)C1 ZINC000096059188 384431647 /nfs/dbraw/zinc/43/16/47/384431647.db2.gz RJYKWIKFRHPLFY-CYBMUJFWSA-N 2 2 248.374 1.287 40 0 BDABLP Cc1ccn([C@H](C)[C@H]2CCC[N@@H+]2CC[NH3+])n1 ZINC000022763128 384773677 /nfs/dbraw/zinc/77/36/77/384773677.db2.gz TZNNEOLHPHZQRJ-VXGBXAGGSA-N 2 2 222.336 1.176 40 0 BDABLP Cc1ccn([C@H](C)[C@H]2CCC[N@H+]2CC[NH3+])n1 ZINC000022763128 384773681 /nfs/dbraw/zinc/77/36/81/384773681.db2.gz TZNNEOLHPHZQRJ-VXGBXAGGSA-N 2 2 222.336 1.176 40 0 BDABLP Cn1cccc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000096523619 385267804 /nfs/dbraw/zinc/26/78/04/385267804.db2.gz LICOREMQXJUMQE-NSHDSACASA-N 2 2 207.321 1.338 40 0 BDABLP Cn1cccc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000096523619 385267808 /nfs/dbraw/zinc/26/78/08/385267808.db2.gz LICOREMQXJUMQE-NSHDSACASA-N 2 2 207.321 1.338 40 0 BDABLP CC(C)[C@H]([NH3+])CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000096523798 385268819 /nfs/dbraw/zinc/26/88/19/385268819.db2.gz HOGARXFHDOYYGB-CYBMUJFWSA-N 3 2 227.396 1.386 40 0 BDABLP CC(C)[C@H]([NH3+])CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000096523798 385268821 /nfs/dbraw/zinc/26/88/21/385268821.db2.gz HOGARXFHDOYYGB-CYBMUJFWSA-N 3 2 227.396 1.386 40 0 BDABLP c1cn(-c2cc[nH+]c([C@@H]3CCC[NH2+]C3)c2)cn1 ZINC000257326931 385764777 /nfs/dbraw/zinc/76/47/77/385764777.db2.gz WZDPXLUJJTVJQO-LLVKDONJSA-N 2 2 228.299 1.734 40 0 BDABLP Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)s1 ZINC000248104552 386744418 /nfs/dbraw/zinc/74/44/18/386744418.db2.gz ORINDZCBBJXHQO-MWLCHTKSSA-N 2 2 208.330 1.590 40 0 BDABLP Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)s1 ZINC000248104552 386744424 /nfs/dbraw/zinc/74/44/24/386744424.db2.gz ORINDZCBBJXHQO-MWLCHTKSSA-N 2 2 208.330 1.590 40 0 BDABLP C[C@@H]1CCCCN1c1cc[nH+]cc1C[NH3+] ZINC000088114675 386823138 /nfs/dbraw/zinc/82/31/38/386823138.db2.gz SIOYKWWMUXARSI-SNVBAGLBSA-N 2 2 205.305 1.919 40 0 BDABLP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccco1)C2 ZINC000096241251 387023706 /nfs/dbraw/zinc/02/37/06/387023706.db2.gz MQMYWDNJWFITHN-STQMWFEESA-N 2 2 238.306 1.803 40 0 BDABLP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccco1)C2 ZINC000096241251 387023710 /nfs/dbraw/zinc/02/37/10/387023710.db2.gz MQMYWDNJWFITHN-STQMWFEESA-N 2 2 238.306 1.803 40 0 BDABLP Cc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050242956 387932795 /nfs/dbraw/zinc/93/27/95/387932795.db2.gz HSKGKOQMISPIEK-LBPRGKRZSA-N 2 2 220.316 1.407 40 0 BDABLP Cc1ccc(OCC[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050242956 387932801 /nfs/dbraw/zinc/93/28/01/387932801.db2.gz HSKGKOQMISPIEK-LBPRGKRZSA-N 2 2 220.316 1.407 40 0 BDABLP CC[C@H](C)[C@H]([NH3+])C[N@H+](C)CCc1ccccn1 ZINC000020074332 171396661 /nfs/dbraw/zinc/39/66/61/171396661.db2.gz SDYMBIVUPANRCP-GXTWGEPZSA-N 2 2 235.375 1.929 40 0 BDABLP CC[C@H](C)[C@H]([NH3+])C[N@@H+](C)CCc1ccccn1 ZINC000020074332 171396663 /nfs/dbraw/zinc/39/66/63/171396663.db2.gz SDYMBIVUPANRCP-GXTWGEPZSA-N 2 2 235.375 1.929 40 0 BDABLP C[N@@H+]1CCCC[C@@H]1c1nc(CCC[NH3+])no1 ZINC000218377592 173006616 /nfs/dbraw/zinc/00/66/16/173006616.db2.gz VKMHSVMCCSVXNO-SECBINFHSA-N 2 2 224.308 1.118 40 0 BDABLP C[N@H+]1CCCC[C@@H]1c1nc(CCC[NH3+])no1 ZINC000218377592 173006621 /nfs/dbraw/zinc/00/66/21/173006621.db2.gz VKMHSVMCCSVXNO-SECBINFHSA-N 2 2 224.308 1.118 40 0 BDABLP CC(C)(O)c1ccc2c(c1)CC[N@@H+](CC[NH3+])C2 ZINC000038539992 323089371 /nfs/dbraw/zinc/08/93/71/323089371.db2.gz YZOYWTHCMUBGSP-UHFFFAOYSA-N 2 2 234.343 1.231 40 0 BDABLP CC(C)(O)c1ccc2c(c1)CC[N@H+](CC[NH3+])C2 ZINC000038539992 323089372 /nfs/dbraw/zinc/08/93/72/323089372.db2.gz YZOYWTHCMUBGSP-UHFFFAOYSA-N 2 2 234.343 1.231 40 0 BDABLP [NH3+][C@H](C[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000242495501 259326207 /nfs/dbraw/zinc/32/62/07/259326207.db2.gz GFVQRGJVAZDQEI-QWHCGFSZSA-N 2 2 220.316 1.143 40 0 BDABLP [NH3+][C@H](C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000242495501 259326209 /nfs/dbraw/zinc/32/62/09/259326209.db2.gz GFVQRGJVAZDQEI-QWHCGFSZSA-N 2 2 220.316 1.143 40 0 BDABLP [NH3+][C@@H](CC[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000019366564 342946704 /nfs/dbraw/zinc/94/67/04/342946704.db2.gz NTCMQIAVHJSZET-AWEZNQCLSA-N 3 2 239.407 1.676 40 0 BDABLP CSc1ccc(C[NH2+]CC[NH2+]CCO)cc1 ZINC000022074912 343039367 /nfs/dbraw/zinc/03/93/67/343039367.db2.gz IMDMKICFDBUVQR-UHFFFAOYSA-N 2 2 240.372 1.080 40 0 BDABLP Cc1cccc(OCC[N@@H+]2CCC[NH2+]CC2)c1C ZINC000041302309 179166312 /nfs/dbraw/zinc/16/63/12/179166312.db2.gz AXZPCEFFDQINKM-UHFFFAOYSA-N 2 2 248.370 1.978 40 0 BDABLP Cc1cccc(OCC[N@H+]2CCC[NH2+]CC2)c1C ZINC000041302309 179166314 /nfs/dbraw/zinc/16/63/14/179166314.db2.gz AXZPCEFFDQINKM-UHFFFAOYSA-N 2 2 248.370 1.978 40 0 BDABLP CCOCC[N@@H+]1CC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000205683680 347453620 /nfs/dbraw/zinc/45/36/20/347453620.db2.gz ZFERHVSTOGBKLF-LLVKDONJSA-N 2 2 223.320 1.544 40 0 BDABLP CCOCC[N@H+]1CC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000205683680 347453622 /nfs/dbraw/zinc/45/36/22/347453622.db2.gz ZFERHVSTOGBKLF-LLVKDONJSA-N 2 2 223.320 1.544 40 0 BDABLP CCOCC[N@@H+]1CC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000205683659 347454119 /nfs/dbraw/zinc/45/41/19/347454119.db2.gz ZFERHVSTOGBKLF-NSHDSACASA-N 2 2 223.320 1.544 40 0 BDABLP CCOCC[N@H+]1CC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000205683659 347454123 /nfs/dbraw/zinc/45/41/23/347454123.db2.gz ZFERHVSTOGBKLF-NSHDSACASA-N 2 2 223.320 1.544 40 0 BDABLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccn[nH]1 ZINC000105442660 180266287 /nfs/dbraw/zinc/26/62/87/180266287.db2.gz PRRMDOKRQSALNR-JTQLQIEISA-N 2 2 233.319 1.341 40 0 BDABLP C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000019505607 356720904 /nfs/dbraw/zinc/72/09/04/356720904.db2.gz DJNLEQIRDJCRKS-LBPRGKRZSA-N 3 2 225.380 1.012 40 0 BDABLP C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000019505607 356720905 /nfs/dbraw/zinc/72/09/05/356720905.db2.gz DJNLEQIRDJCRKS-LBPRGKRZSA-N 3 2 225.380 1.012 40 0 BDABLP CCCOc1ccccc1C[NH2+]CC[NH3+] ZINC000072226338 169326508 /nfs/dbraw/zinc/32/65/08/169326508.db2.gz YQMDGQGSKWSCTA-UHFFFAOYSA-N 2 2 208.305 1.524 40 0 BDABLP Cc1cc(C2CC[NH+](CC(N)=O)CC2)cc[nH+]1 ZINC000072366580 384214605 /nfs/dbraw/zinc/21/46/05/384214605.db2.gz NRFODTRMXBWLLF-UHFFFAOYSA-N 2 2 233.315 1.055 40 0 BDABLP CC[NH+]1CCN(c2[nH+]cc(CCO)cc2C)CC1 ZINC000072222600 385112689 /nfs/dbraw/zinc/11/26/89/385112689.db2.gz XIWHICJOIXNKBP-UHFFFAOYSA-N 2 2 249.358 1.067 40 0 BDABLP C[NH+](C)COC(=S)SC[NH+](C)C ZINC000031623525 385091739 /nfs/dbraw/zinc/09/17/39/385091739.db2.gz PCROCJPPQDGYMQ-UHFFFAOYSA-N 2 2 208.352 1.059 40 0 BDABLP [NH3+][C@@H]1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000096516996 385254947 /nfs/dbraw/zinc/25/49/47/385254947.db2.gz WJDKWFHWSHQORR-SNVBAGLBSA-N 2 2 244.342 1.380 40 0 BDABLP Cc1n[nH]c(C)c1CCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000096523539 385267244 /nfs/dbraw/zinc/26/72/44/385267244.db2.gz HBAVAFDSHYELPT-LBPRGKRZSA-N 2 2 236.363 1.382 40 0 BDABLP Cc1n[nH]c(C)c1CCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000096523539 385267253 /nfs/dbraw/zinc/26/72/53/385267253.db2.gz HBAVAFDSHYELPT-LBPRGKRZSA-N 2 2 236.363 1.382 40 0 BDABLP CN(C)c1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000096523547 385268207 /nfs/dbraw/zinc/26/82/07/385268207.db2.gz OGPVBHSXTKXYMV-ZDUSSCGKSA-N 2 2 233.359 1.676 40 0 BDABLP CN(C)c1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000096523547 385268214 /nfs/dbraw/zinc/26/82/14/385268214.db2.gz OGPVBHSXTKXYMV-ZDUSSCGKSA-N 2 2 233.359 1.676 40 0 BDABLP CCn1nccc1C[NH2+]CCC[NH+](CC)CC ZINC000125070697 387852378 /nfs/dbraw/zinc/85/23/78/387852378.db2.gz VARLUBQGNLIGRU-UHFFFAOYSA-N 2 2 238.379 1.725 40 0 BDABLP COC(=O)c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC000067801109 387854794 /nfs/dbraw/zinc/85/47/94/387854794.db2.gz UAVVOQNLEKXXSU-UHFFFAOYSA-N 2 2 248.326 1.396 40 0 BDABLP COc1ccc([C@@H]2C[N@H+](C)C[C@@H]2[NH3+])cc1OC ZINC000216411777 388355136 /nfs/dbraw/zinc/35/51/36/388355136.db2.gz IKTSEWAJPWGXLC-QWRGUYRKSA-N 2 2 236.315 1.060 40 0 BDABLP COc1ccc([C@@H]2C[N@@H+](C)C[C@@H]2[NH3+])cc1OC ZINC000216411777 388355138 /nfs/dbraw/zinc/35/51/38/388355138.db2.gz IKTSEWAJPWGXLC-QWRGUYRKSA-N 2 2 236.315 1.060 40 0 BDABLP CCN1CCn2c(C)c[nH+]c2C12CC[NH2+]CC2 ZINC000306141111 170025089 /nfs/dbraw/zinc/02/50/89/170025089.db2.gz VLOLTZNAHOSUFI-UHFFFAOYSA-N 2 2 234.347 1.106 40 0 BDABLP C[NH2+]C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000061674880 173322985 /nfs/dbraw/zinc/32/29/85/173322985.db2.gz VANKRDGOJSDJJP-UHFFFAOYSA-N 2 2 248.326 1.599 40 0 BDABLP COCCC[N@H+](CC[NH3+])Cc1cccs1 ZINC000096523719 174222154 /nfs/dbraw/zinc/22/21/54/174222154.db2.gz HDHAOUXJDGZMRL-UHFFFAOYSA-N 2 2 228.361 1.545 40 0 BDABLP COCCC[N@@H+](CC[NH3+])Cc1cccs1 ZINC000096523719 174222156 /nfs/dbraw/zinc/22/21/56/174222156.db2.gz HDHAOUXJDGZMRL-UHFFFAOYSA-N 2 2 228.361 1.545 40 0 BDABLP COc1ccc([NH2+]C[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000096509429 175151520 /nfs/dbraw/zinc/15/15/20/175151520.db2.gz AYYUYSZJLIVLND-ZJUUUORDSA-N 2 2 206.289 1.702 40 0 BDABLP CCCOc1ccc(C[NH2+]CC[NH3+])cc1 ZINC000037712630 323107877 /nfs/dbraw/zinc/10/78/77/323107877.db2.gz WFYMNJISAPTCER-UHFFFAOYSA-N 2 2 208.305 1.524 40 0 BDABLP CC[C@H]([NH3+])c1noc(C[NH+](CC)CC)n1 ZINC000070453697 259313776 /nfs/dbraw/zinc/31/37/76/259313776.db2.gz SPMCEKQNMMJYIM-QMMMGPOBSA-N 2 2 212.297 1.321 40 0 BDABLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000002042476 342715188 /nfs/dbraw/zinc/71/51/88/342715188.db2.gz QLBMXOZPLHPOAQ-AWEZNQCLSA-N 2 2 236.359 1.479 40 0 BDABLP CCCc1cc(C[NH+]2CCC([NH3+])CC2)on1 ZINC000012398766 343094827 /nfs/dbraw/zinc/09/48/27/343094827.db2.gz PHWRRAPTOKXAGP-UHFFFAOYSA-N 2 2 223.320 1.550 40 0 BDABLP Cc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000072203994 179280569 /nfs/dbraw/zinc/28/05/69/179280569.db2.gz OJDPFJQPNDUPRO-ZDUSSCGKSA-N 2 2 204.317 1.837 40 0 BDABLP Cc1ccccc1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000038539463 179273957 /nfs/dbraw/zinc/27/39/57/179273957.db2.gz YFPWTSAIXBZFCU-CYBMUJFWSA-N 2 2 204.317 1.918 40 0 BDABLP Cc1ccccc1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000038539463 179273958 /nfs/dbraw/zinc/27/39/58/179273958.db2.gz YFPWTSAIXBZFCU-CYBMUJFWSA-N 2 2 204.317 1.918 40 0 BDABLP Clc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cn1 ZINC000072203713 385058130 /nfs/dbraw/zinc/05/81/30/385058130.db2.gz DQSUQDDMLRERFZ-JTQLQIEISA-N 2 2 225.723 1.577 40 0 BDABLP C1CC1c1nc(N2CC[NH2+]CC2)c2c([nH+]1)CCC2 ZINC000096516921 385255606 /nfs/dbraw/zinc/25/56/06/385255606.db2.gz SYCHBDMMQBWRFN-UHFFFAOYSA-N 2 2 244.342 1.252 40 0 BDABLP CN(C)c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000096523505 385267407 /nfs/dbraw/zinc/26/74/07/385267407.db2.gz BCPOOWULFFLMKH-LBPRGKRZSA-N 2 2 219.332 1.286 40 0 BDABLP CN(C)c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000096523505 385267414 /nfs/dbraw/zinc/26/74/14/385267414.db2.gz BCPOOWULFFLMKH-LBPRGKRZSA-N 2 2 219.332 1.286 40 0 BDABLP C[N@H+](CC[NH3+])Cc1cccc(Br)c1 ZINC000096319879 385912318 /nfs/dbraw/zinc/91/23/18/385912318.db2.gz KDFMZMOEZVLHKX-UHFFFAOYSA-N 2 2 243.148 1.840 40 0 BDABLP C[N@@H+](CC[NH3+])Cc1cccc(Br)c1 ZINC000096319879 385912322 /nfs/dbraw/zinc/91/23/22/385912322.db2.gz KDFMZMOEZVLHKX-UHFFFAOYSA-N 2 2 243.148 1.840 40 0 BDABLP c1nc2n(c1CNc1cccc[nH+]1)CC[NH2+]CC2 ZINC000101142534 388616024 /nfs/dbraw/zinc/61/60/24/388616024.db2.gz NQPUVIMZYVMANE-UHFFFAOYSA-N 2 2 243.314 1.036 40 0 BDABLP C[N@H+](CCc1ccncc1)C[C@@H]1CCCC[NH2+]1 ZINC000096319906 388815891 /nfs/dbraw/zinc/81/58/91/388815891.db2.gz PEROXZZSQGVHGQ-AWEZNQCLSA-N 2 2 233.359 1.698 40 0 BDABLP C[N@@H+](CCc1ccncc1)C[C@@H]1CCCC[NH2+]1 ZINC000096319906 388815894 /nfs/dbraw/zinc/81/58/94/388815894.db2.gz PEROXZZSQGVHGQ-AWEZNQCLSA-N 2 2 233.359 1.698 40 0 BDABLP CCOc1ccc([C@H]2C[N@H+](C)C[C@H]2[NH3+])cc1 ZINC000242495790 388818415 /nfs/dbraw/zinc/81/84/15/388818415.db2.gz GQILZPOUUGGDAF-CHWSQXEVSA-N 2 2 220.316 1.442 40 0 BDABLP CCOc1ccc([C@H]2C[N@@H+](C)C[C@H]2[NH3+])cc1 ZINC000242495790 388818418 /nfs/dbraw/zinc/81/84/18/388818418.db2.gz GQILZPOUUGGDAF-CHWSQXEVSA-N 2 2 220.316 1.442 40 0 BDABLP CCN(CC)c1cc(N2CCC([NH3+])CC2)nc[nH+]1 ZINC000040434352 132347718 /nfs/dbraw/zinc/34/77/18/132347718.db2.gz UMXYEECFVGOFRA-UHFFFAOYSA-N 2 2 249.362 1.250 40 0 BDABLP CCN(CC)c1cc(N2CCC([NH3+])CC2)[nH+]cn1 ZINC000040434352 132347719 /nfs/dbraw/zinc/34/77/19/132347719.db2.gz UMXYEECFVGOFRA-UHFFFAOYSA-N 2 2 249.362 1.250 40 0 BDABLP CCn1c2ccccc2[nH+]c1N1CCC[C@@H]([NH3+])C1 ZINC000043220238 172146270 /nfs/dbraw/zinc/14/62/70/172146270.db2.gz ZRYWOHWETUYIKS-LLVKDONJSA-N 2 2 244.342 1.984 40 0 BDABLP CCn1nc(C)c(C[NH2+]CCC[NH+](C)C)c1F ZINC000256050776 172245666 /nfs/dbraw/zinc/24/56/66/172245666.db2.gz GMATXRLCBBDAPI-UHFFFAOYSA-N 2 2 242.342 1.392 40 0 BDABLP C[NH+]1CCC(Oc2cc[nH+]cc2N)CC1 ZINC000041018566 173000290 /nfs/dbraw/zinc/00/02/90/173000290.db2.gz KSFVEGQJCOAVBB-UHFFFAOYSA-N 2 2 207.277 1.137 40 0 BDABLP C[N@@H+]1CCCC[C@H]1c1nc(CCC[NH3+])no1 ZINC000218377681 173009065 /nfs/dbraw/zinc/00/90/65/173009065.db2.gz VKMHSVMCCSVXNO-VIFPVBQESA-N 2 2 224.308 1.118 40 0 BDABLP C[N@H+]1CCCC[C@H]1c1nc(CCC[NH3+])no1 ZINC000218377681 173009066 /nfs/dbraw/zinc/00/90/66/173009066.db2.gz VKMHSVMCCSVXNO-VIFPVBQESA-N 2 2 224.308 1.118 40 0 BDABLP C[C@@H](c1ccccn1)[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000245204824 176028075 /nfs/dbraw/zinc/02/80/75/176028075.db2.gz HRJLOOKXADOPPF-RYUDHWBXSA-N 2 2 219.332 1.956 40 0 BDABLP C[C@@H](c1ccccn1)[N@H+]1CCCC[C@H]1C[NH3+] ZINC000245204824 176028077 /nfs/dbraw/zinc/02/80/77/176028077.db2.gz HRJLOOKXADOPPF-RYUDHWBXSA-N 2 2 219.332 1.956 40 0 BDABLP C[C@@H](c1ccccn1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000096319960 176028262 /nfs/dbraw/zinc/02/82/62/176028262.db2.gz HRJLOOKXADOPPF-NWDGAFQWSA-N 2 2 219.332 1.956 40 0 BDABLP C[C@@H](c1ccccn1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000096319960 176028264 /nfs/dbraw/zinc/02/82/64/176028264.db2.gz HRJLOOKXADOPPF-NWDGAFQWSA-N 2 2 219.332 1.956 40 0 BDABLP Cc1cc(N2CC[C@@H]([NH3+])C2)nc(C2CC2)[nH+]1 ZINC000096516988 178118352 /nfs/dbraw/zinc/11/83/52/178118352.db2.gz ULOSNYQBRUZRMV-SNVBAGLBSA-N 2 2 218.304 1.200 40 0 BDABLP CC[NH+](CC)Cc1nc([C@H]([NH3+])C(C)C)no1 ZINC000070453695 259313782 /nfs/dbraw/zinc/31/37/82/259313782.db2.gz GAUIVOCASWXRMS-SNVBAGLBSA-N 2 2 226.324 1.567 40 0 BDABLP CC(C)([NH3+])c1noc(C[NH+]2CCCCC2)n1 ZINC000043401994 342794346 /nfs/dbraw/zinc/79/43/46/342794346.db2.gz AYRAARIEKIGAPS-UHFFFAOYSA-N 2 2 224.308 1.249 40 0 BDABLP C[C@H](O)C[NH2+]CC[NH2+]C/C=C/c1ccccc1 ZINC000022075258 136277961 /nfs/dbraw/zinc/27/79/61/136277961.db2.gz SXNUHEXNBZRAMU-LJLILKBBSA-N 2 2 234.343 1.260 40 0 BDABLP [NH3+][C@@H]1CC[N@H+](CC2(c3ccccc3)CC2)C1 ZINC000033426907 350234544 /nfs/dbraw/zinc/23/45/44/350234544.db2.gz XUFNKVWMPLHBHB-CYBMUJFWSA-N 2 2 216.328 1.751 40 0 BDABLP [NH3+][C@@H]1CC[N@@H+](CC2(c3ccccc3)CC2)C1 ZINC000033426907 350234546 /nfs/dbraw/zinc/23/45/46/350234546.db2.gz XUFNKVWMPLHBHB-CYBMUJFWSA-N 2 2 216.328 1.751 40 0 BDABLP C[NH+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363707 350476334 /nfs/dbraw/zinc/47/63/34/350476334.db2.gz ZCEQUXCLMBTVIP-NSHDSACASA-N 2 2 206.289 1.183 40 0 BDABLP Cc1c(F)cccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000038538753 362959613 /nfs/dbraw/zinc/95/96/13/362959613.db2.gz LBFCVGIBSUPAFG-NSHDSACASA-N 2 2 208.280 1.667 40 0 BDABLP Cc1c(F)cccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000038538753 362959619 /nfs/dbraw/zinc/95/96/19/362959619.db2.gz LBFCVGIBSUPAFG-NSHDSACASA-N 2 2 208.280 1.667 40 0 BDABLP C1CC([N@@H+]2CCC[NH2+]CC2)CCS1 ZINC000042335288 352627006 /nfs/dbraw/zinc/62/70/06/352627006.db2.gz DFJCBZNQKRSIET-UHFFFAOYSA-N 2 2 200.351 1.177 40 0 BDABLP C1CC([N@H+]2CCC[NH2+]CC2)CCS1 ZINC000042335288 352627010 /nfs/dbraw/zinc/62/70/10/352627010.db2.gz DFJCBZNQKRSIET-UHFFFAOYSA-N 2 2 200.351 1.177 40 0 BDABLP c1cn(-c2cccc([C@H]3CCC[NH2+]3)n2)c[nH+]1 ZINC000072355928 383839721 /nfs/dbraw/zinc/83/97/21/383839721.db2.gz ARJGYTMYIJXZQW-SNVBAGLBSA-N 2 2 214.272 1.692 40 0 BDABLP [NH3+]C[C@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000035677030 384088863 /nfs/dbraw/zinc/08/88/63/384088863.db2.gz HSMPCGOCWQZZEB-QMMMGPOBSA-N 2 2 220.194 1.544 40 0 BDABLP [NH3+]C[C@@H]([NH3+])c1cc(Br)ccc1F ZINC000035677053 384089230 /nfs/dbraw/zinc/08/92/30/384089230.db2.gz GGKNULBCXWRZNY-MRVPVSSYSA-N 2 2 233.084 1.547 40 0 BDABLP OCC[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079393477 384134335 /nfs/dbraw/zinc/13/43/35/384134335.db2.gz PKTIFHATFXDHRS-HNNXBMFYSA-N 2 2 248.370 1.623 40 0 BDABLP OCC[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079393477 384134339 /nfs/dbraw/zinc/13/43/39/384134339.db2.gz PKTIFHATFXDHRS-HNNXBMFYSA-N 2 2 248.370 1.623 40 0 BDABLP c1cn(-c2cncc(C3CC[NH2+]CC3)n2)c[nH+]1 ZINC000072344152 384208764 /nfs/dbraw/zinc/20/87/64/384208764.db2.gz MZJVCFVYUOHKNB-UHFFFAOYSA-N 2 2 229.287 1.129 40 0 BDABLP Nc1cc(-c2c[nH]nc2[C@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000072357468 384213147 /nfs/dbraw/zinc/21/31/47/384213147.db2.gz TUKIJXZFYKWPCV-LLVKDONJSA-N 2 2 243.314 1.869 40 0 BDABLP [NH3+][C@]12C[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC000096082178 384435518 /nfs/dbraw/zinc/43/55/18/384435518.db2.gz NKGDBPKVSONMNG-STQMWFEESA-N 2 2 202.301 1.262 40 0 BDABLP [NH3+][C@]12C[C@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000096082178 384435523 /nfs/dbraw/zinc/43/55/23/384435523.db2.gz NKGDBPKVSONMNG-STQMWFEESA-N 2 2 202.301 1.262 40 0 BDABLP Cc1noc(C)c1[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000022763033 384773918 /nfs/dbraw/zinc/77/39/18/384773918.db2.gz XLOVCVALEQYLTK-JTQLQIEISA-N 2 2 209.293 1.387 40 0 BDABLP Cc1noc(C)c1[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000022763033 384773922 /nfs/dbraw/zinc/77/39/22/384773922.db2.gz XLOVCVALEQYLTK-JTQLQIEISA-N 2 2 209.293 1.387 40 0 BDABLP Cc1nc(N2CCC([NH3+])CC2)c2c([nH+]1)CCCC2 ZINC000096516887 385256641 /nfs/dbraw/zinc/25/66/41/385256641.db2.gz LEPWMLSKOPDLMK-UHFFFAOYSA-N 2 2 246.358 1.591 40 0 BDABLP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000096523503 385267426 /nfs/dbraw/zinc/26/74/26/385267426.db2.gz MQRZHAYDVVECHM-LBPRGKRZSA-N 2 2 220.316 1.537 40 0 BDABLP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000096523503 385267432 /nfs/dbraw/zinc/26/74/32/385267432.db2.gz MQRZHAYDVVECHM-LBPRGKRZSA-N 2 2 220.316 1.537 40 0 BDABLP [NH3+][C@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC000096523495 385267863 /nfs/dbraw/zinc/26/78/63/385267863.db2.gz DJDYVYHPPKNEJB-LBPRGKRZSA-N 2 2 227.311 1.768 40 0 BDABLP [NH3+][C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000096523495 385267870 /nfs/dbraw/zinc/26/78/70/385267870.db2.gz DJDYVYHPPKNEJB-LBPRGKRZSA-N 2 2 227.311 1.768 40 0 BDABLP CCOc1cccc([C@@H]2C[N@H+](C)C[C@H]2[NH3+])c1 ZINC000252515777 388654208 /nfs/dbraw/zinc/65/42/08/388654208.db2.gz NGXVBQRXWPZTTC-QWHCGFSZSA-N 2 2 220.316 1.442 40 0 BDABLP CCOc1cccc([C@@H]2C[N@@H+](C)C[C@H]2[NH3+])c1 ZINC000252515777 388654210 /nfs/dbraw/zinc/65/42/10/388654210.db2.gz NGXVBQRXWPZTTC-QWHCGFSZSA-N 2 2 220.316 1.442 40 0 BDABLP CC[C@@H](C)[C@H]([NH3+])C[NH+]1CCSCC1 ZINC000020257452 388760552 /nfs/dbraw/zinc/76/05/52/388760552.db2.gz DXYMWDCYWUJHRU-NXEZZACHSA-N 2 2 202.367 1.409 40 0 BDABLP CCn1ncc(C[NH2+]CCC[NH+](C)C)c1F ZINC000256051076 172255281 /nfs/dbraw/zinc/25/52/81/172255281.db2.gz HPOXAARTSAGBMX-UHFFFAOYSA-N 2 2 228.315 1.083 40 0 BDABLP C[NH+]1CCC(c2cncc(-n3cc[nH+]c3)n2)CC1 ZINC000072355469 173001959 /nfs/dbraw/zinc/00/19/59/173001959.db2.gz KQQWMQFCZYTBKQ-UHFFFAOYSA-N 2 2 243.314 1.472 40 0 BDABLP COc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC000049661001 175101273 /nfs/dbraw/zinc/10/12/73/175101273.db2.gz CFCMHELKVQNTLH-GFCCVEGCSA-N 2 2 234.343 1.879 40 0 BDABLP COc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC000049661001 175101274 /nfs/dbraw/zinc/10/12/74/175101274.db2.gz CFCMHELKVQNTLH-GFCCVEGCSA-N 2 2 234.343 1.879 40 0 BDABLP COc1ccc([C@@H]2C[N@H+](C)C[C@@H]2[NH3+])cc1 ZINC000216434872 175183478 /nfs/dbraw/zinc/18/34/78/175183478.db2.gz SQPBLMCZKBMQOF-RYUDHWBXSA-N 2 2 206.289 1.052 40 0 BDABLP COc1ccc([C@@H]2C[N@@H+](C)C[C@@H]2[NH3+])cc1 ZINC000216434872 175183479 /nfs/dbraw/zinc/18/34/79/175183479.db2.gz SQPBLMCZKBMQOF-RYUDHWBXSA-N 2 2 206.289 1.052 40 0 BDABLP COc1ccccc1[C@@H]1C[N@H+](C)C[C@H]1[NH3+] ZINC000082378580 175349207 /nfs/dbraw/zinc/34/92/07/175349207.db2.gz RBSOSCGVVTWKBK-WDEREUQCSA-N 2 2 206.289 1.052 40 0 BDABLP COc1ccccc1[C@@H]1C[N@@H+](C)C[C@H]1[NH3+] ZINC000082378580 175349208 /nfs/dbraw/zinc/34/92/08/175349208.db2.gz RBSOSCGVVTWKBK-WDEREUQCSA-N 2 2 206.289 1.052 40 0 BDABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1ccc(Cl)cc1 ZINC000022074965 136278074 /nfs/dbraw/zinc/27/80/74/136278074.db2.gz JQSPBIRSZVHZTA-SNVBAGLBSA-N 2 2 242.750 1.400 40 0 BDABLP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000096523504 490236798 /nfs/dbraw/zinc/23/67/98/490236798.db2.gz MQRZHAYDVVECHM-GFCCVEGCSA-N 2 2 220.316 1.537 40 0 BDABLP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000096523504 490236802 /nfs/dbraw/zinc/23/68/02/490236802.db2.gz MQRZHAYDVVECHM-GFCCVEGCSA-N 2 2 220.316 1.537 40 0 BDABLP Cc1[nH+]c([C@H]2CC[NH2+]C2)c2sccn12 ZINC000257260890 180056607 /nfs/dbraw/zinc/05/66/07/180056607.db2.gz LEXVMNPQIKUQID-QMMMGPOBSA-N 2 2 207.302 1.781 40 0 BDABLP Cc1nn(C)cc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000096523672 180371425 /nfs/dbraw/zinc/37/14/25/180371425.db2.gz RYKCPIYCAVLYOD-GFCCVEGCSA-N 2 2 236.363 1.160 40 0 BDABLP Cc1nn(C)cc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000096523672 180371426 /nfs/dbraw/zinc/37/14/26/180371426.db2.gz RYKCPIYCAVLYOD-GFCCVEGCSA-N 2 2 236.363 1.160 40 0 BDABLP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000095097557 181392215 /nfs/dbraw/zinc/39/22/15/181392215.db2.gz GFSVKDOYAMYRHF-GFCCVEGCSA-N 2 2 205.305 1.567 40 0 BDABLP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000095097557 181392217 /nfs/dbraw/zinc/39/22/17/181392217.db2.gz GFSVKDOYAMYRHF-GFCCVEGCSA-N 2 2 205.305 1.567 40 0 BDABLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1CO ZINC000110763473 369977981 /nfs/dbraw/zinc/97/79/81/369977981.db2.gz FBGLDEKTMMVMJS-KGLIPLIRSA-N 2 2 234.343 1.013 40 0 BDABLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1CO ZINC000110763473 369977983 /nfs/dbraw/zinc/97/79/83/369977983.db2.gz FBGLDEKTMMVMJS-KGLIPLIRSA-N 2 2 234.343 1.013 40 0 BDABLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000020248655 371252341 /nfs/dbraw/zinc/25/23/41/371252341.db2.gz LBMGSIVSAWHALC-GFCCVEGCSA-N 2 2 220.316 1.618 40 0 BDABLP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000020248655 371252348 /nfs/dbraw/zinc/25/23/48/371252348.db2.gz LBMGSIVSAWHALC-GFCCVEGCSA-N 2 2 220.316 1.618 40 0 BDABLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000020367105 371273511 /nfs/dbraw/zinc/27/35/11/371273511.db2.gz KZCQMEMCNGRKFZ-ZDUSSCGKSA-N 2 2 204.317 1.918 40 0 BDABLP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000020367105 371273515 /nfs/dbraw/zinc/27/35/15/371273515.db2.gz KZCQMEMCNGRKFZ-ZDUSSCGKSA-N 2 2 204.317 1.918 40 0 BDABLP CCCOc1ccc([C@@H]2C[N@H+](C)C[C@@H]2[NH3+])cc1 ZINC000217662536 169321480 /nfs/dbraw/zinc/32/14/80/169321480.db2.gz IQRLYFZCLWBADM-KBPBESRZSA-N 2 2 234.343 1.832 40 0 BDABLP CCCOc1ccc([C@@H]2C[N@@H+](C)C[C@@H]2[NH3+])cc1 ZINC000217662536 169321482 /nfs/dbraw/zinc/32/14/82/169321482.db2.gz IQRLYFZCLWBADM-KBPBESRZSA-N 2 2 234.343 1.832 40 0 BDABLP [NH3+]C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000035677097 383865596 /nfs/dbraw/zinc/86/55/96/383865596.db2.gz PZUVTQYOKUMPDY-QMMMGPOBSA-N 2 2 204.195 1.664 40 0 BDABLP CN(c1cc(NC2CC2)[nH+]cn1)[C@@H]1CCC[NH2+]C1 ZINC000079439543 384146715 /nfs/dbraw/zinc/14/67/15/384146715.db2.gz CHCAJYBKVMGBSL-LLVKDONJSA-N 2 2 247.346 1.239 40 0 BDABLP c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]3)C2)cc1 ZINC000085223545 384927324 /nfs/dbraw/zinc/92/73/24/384927324.db2.gz DMEVQAIDIWCDNI-CYBMUJFWSA-N 2 2 202.301 1.624 40 0 BDABLP c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]3)C2)cc1 ZINC000085223545 384927336 /nfs/dbraw/zinc/92/73/36/384927336.db2.gz DMEVQAIDIWCDNI-CYBMUJFWSA-N 2 2 202.301 1.624 40 0 BDABLP Cc1nc(N2CC[C@H]([NH3+])C2)cc(C2CC2)[nH+]1 ZINC000096516911 385256805 /nfs/dbraw/zinc/25/68/05/385256805.db2.gz JYUJLBGXOCTSEG-JTQLQIEISA-N 2 2 218.304 1.200 40 0 BDABLP Cc1c[nH]c([C@H]2CCN(c3cc[nH+]c(C)n3)C2)[nH+]1 ZINC000257205713 385753284 /nfs/dbraw/zinc/75/32/84/385753284.db2.gz BAIDXHDMFXGYAZ-NSHDSACASA-N 2 2 243.314 1.810 40 0 BDABLP [NH3+][C@@H]1C2CC[NH+](CC2)[C@H]1Cc1ccccc1 ZINC000138644153 387708577 /nfs/dbraw/zinc/70/85/77/387708577.db2.gz XPPMDYURPXXBHC-UONOGXRCSA-N 2 2 216.328 1.651 40 0 BDABLP CC[NH+](CC)CCC[NH2+]Cc1cc(C)nn1C ZINC000089182336 387855026 /nfs/dbraw/zinc/85/50/26/387855026.db2.gz OAZKIUBKGYFFEY-UHFFFAOYSA-N 2 2 238.379 1.550 40 0 BDABLP [NH3+][C@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000050242954 387932290 /nfs/dbraw/zinc/93/22/90/387932290.db2.gz RFZQQVNYGMLHGX-NSHDSACASA-N 2 2 240.734 1.752 40 0 BDABLP [NH3+][C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000050242954 387932294 /nfs/dbraw/zinc/93/22/94/387932294.db2.gz RFZQQVNYGMLHGX-NSHDSACASA-N 2 2 240.734 1.752 40 0 BDABLP CC(C)[N@@H+]1CCn2c(nnc2[C@H]2CCC[NH+]2C)C1 ZINC000072373973 167028188 /nfs/dbraw/zinc/02/81/88/167028188.db2.gz QQFJOKBPCVWPPS-LLVKDONJSA-N 2 2 249.362 1.269 40 0 BDABLP CC(C)[N@H+]1CCn2c(nnc2[C@H]2CCC[NH+]2C)C1 ZINC000072373973 167028191 /nfs/dbraw/zinc/02/81/91/167028191.db2.gz QQFJOKBPCVWPPS-LLVKDONJSA-N 2 2 249.362 1.269 40 0 BDABLP CC(C)[NH+]1CCn2c(nnc2[C@H]2CCC[N@@H+]2C)C1 ZINC000072373973 167028192 /nfs/dbraw/zinc/02/81/92/167028192.db2.gz QQFJOKBPCVWPPS-LLVKDONJSA-N 2 2 249.362 1.269 40 0 BDABLP CC(C)[NH+]1CCn2c(nnc2[C@H]2CCC[N@H+]2C)C1 ZINC000072373973 167028194 /nfs/dbraw/zinc/02/81/94/167028194.db2.gz QQFJOKBPCVWPPS-LLVKDONJSA-N 2 2 249.362 1.269 40 0 BDABLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000022910243 173369870 /nfs/dbraw/zinc/36/98/70/173369870.db2.gz GSXQCTVTYCDGDP-ZDUSSCGKSA-N 2 2 204.317 1.870 40 0 BDABLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000022910243 173369872 /nfs/dbraw/zinc/36/98/72/173369872.db2.gz GSXQCTVTYCDGDP-ZDUSSCGKSA-N 2 2 204.317 1.870 40 0 BDABLP COCC[N@H+]1CC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257310119 174313093 /nfs/dbraw/zinc/31/30/93/174313093.db2.gz UDTKXOPPLHVMDV-SNVBAGLBSA-N 2 2 209.293 1.154 40 0 BDABLP COc1ccc(Br)cc1[C@H]([NH3+])C[NH3+] ZINC000035676944 175051128 /nfs/dbraw/zinc/05/11/28/175051128.db2.gz ATBIEYPQQNXRMC-MRVPVSSYSA-N 2 2 245.120 1.416 40 0 BDABLP COc1cccc(C[N@H+](CC[NH3+])C2CC2)c1 ZINC000032013708 175257678 /nfs/dbraw/zinc/25/76/78/175257678.db2.gz BCCOKYMIZYMJQC-UHFFFAOYSA-N 2 2 220.316 1.618 40 0 BDABLP COc1cccc(C[N@@H+](CC[NH3+])C2CC2)c1 ZINC000032013708 175257679 /nfs/dbraw/zinc/25/76/79/175257679.db2.gz BCCOKYMIZYMJQC-UHFFFAOYSA-N 2 2 220.316 1.618 40 0 BDABLP COc1ccccc1CCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000096523487 175322791 /nfs/dbraw/zinc/32/27/91/175322791.db2.gz AKFUJDRKBJRRSZ-ZDUSSCGKSA-N 2 2 234.343 1.661 40 0 BDABLP COc1ccccc1CCC[N@H+]1CC[C@H]([NH3+])C1 ZINC000096523487 175322792 /nfs/dbraw/zinc/32/27/92/175322792.db2.gz AKFUJDRKBJRRSZ-ZDUSSCGKSA-N 2 2 234.343 1.661 40 0 BDABLP Cc1cc(N(C)C)cc([C@@H]2C[NH2+]CCO2)[nH+]1 ZINC000257198067 178095751 /nfs/dbraw/zinc/09/57/51/178095751.db2.gz RNTIDQYXOLPLQR-LBPRGKRZSA-N 2 2 221.304 1.117 40 0 BDABLP C[N@@H+]1C[C@H]([NH3+])[C@H](c2ccc(Cl)cc2)C1 ZINC000216409065 346913278 /nfs/dbraw/zinc/91/32/78/346913278.db2.gz LUHOAPONKQKMFS-QWRGUYRKSA-N 2 2 210.708 1.696 40 0 BDABLP C[N@H+]1C[C@H]([NH3+])[C@H](c2ccc(Cl)cc2)C1 ZINC000216409065 346913281 /nfs/dbraw/zinc/91/32/81/346913281.db2.gz LUHOAPONKQKMFS-QWRGUYRKSA-N 2 2 210.708 1.696 40 0 BDABLP Clc1cccc([C@@H]2C[NH2+]CCC[NH2+]2)c1 ZINC000022462321 343049507 /nfs/dbraw/zinc/04/95/07/343049507.db2.gz FDYNAFFLXZQHDJ-NSHDSACASA-N 2 2 210.708 1.964 40 0 BDABLP CCn1cc(C[N@H+](CC)C[C@@H]([NH3+])C(C)C)cn1 ZINC000096523748 343758581 /nfs/dbraw/zinc/75/85/81/343758581.db2.gz XLFJKZMXUIHBMS-CYBMUJFWSA-N 2 2 238.379 1.708 40 0 BDABLP CCn1cc(C[N@@H+](CC)C[C@@H]([NH3+])C(C)C)cn1 ZINC000096523748 343758582 /nfs/dbraw/zinc/75/85/82/343758582.db2.gz XLFJKZMXUIHBMS-CYBMUJFWSA-N 2 2 238.379 1.708 40 0 BDABLP Cc1cccc(C[N@H+](CC[NH3+])C2CC2)c1 ZINC000032010389 179071150 /nfs/dbraw/zinc/07/11/50/179071150.db2.gz FMFWHPXOZSFOSV-UHFFFAOYSA-N 2 2 204.317 1.918 40 0 BDABLP Cc1cccc(C[N@@H+](CC[NH3+])C2CC2)c1 ZINC000032010389 179071153 /nfs/dbraw/zinc/07/11/53/179071153.db2.gz FMFWHPXOZSFOSV-UHFFFAOYSA-N 2 2 204.317 1.918 40 0 BDABLP Cc1ccccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043327095 179282692 /nfs/dbraw/zinc/28/26/92/179282692.db2.gz VALRSSHULKTZPQ-CYBMUJFWSA-N 2 2 204.317 1.837 40 0 BDABLP Cc1nc(N2CCC[NH2+]CC2)c2c([nH+]1)CCCC2 ZINC000096516915 180068619 /nfs/dbraw/zinc/06/86/19/180068619.db2.gz DBPDNQSGILWWLH-UHFFFAOYSA-N 2 2 246.358 1.464 40 0 BDABLP C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000019505606 356720840 /nfs/dbraw/zinc/72/08/40/356720840.db2.gz DJNLEQIRDJCRKS-GFCCVEGCSA-N 3 2 225.380 1.012 40 0 BDABLP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000019505606 356720842 /nfs/dbraw/zinc/72/08/42/356720842.db2.gz DJNLEQIRDJCRKS-GFCCVEGCSA-N 3 2 225.380 1.012 40 0 BDABLP CC[NH+](CC)CCC[NH2+]Cc1ccnn1C ZINC000036901124 357330702 /nfs/dbraw/zinc/33/07/02/357330702.db2.gz ORTHAPMCCJKMSS-UHFFFAOYSA-N 2 2 224.352 1.242 40 0 BDABLP [NH3+][C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000041030337 361173396 /nfs/dbraw/zinc/17/33/96/361173396.db2.gz RCLYMORVSRZNHW-VIFPVBQESA-N 2 2 216.288 1.490 40 0 BDABLP c1cn2c(cccc2[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000082382060 183362347 /nfs/dbraw/zinc/36/23/47/183362347.db2.gz PFMNHWAGCRBKBK-SNVBAGLBSA-N 2 2 201.273 1.801 40 0 BDABLP CC(C)[N@H+](CC[NH3+])[C@H](C)c1ccccn1 ZINC000079421753 384141749 /nfs/dbraw/zinc/14/17/49/384141749.db2.gz POKNJKFRECSUTF-LLVKDONJSA-N 2 2 207.321 1.812 40 0 BDABLP CC(C)[N@@H+](CC[NH3+])[C@H](C)c1ccccn1 ZINC000079421753 384141759 /nfs/dbraw/zinc/14/17/59/384141759.db2.gz POKNJKFRECSUTF-LLVKDONJSA-N 2 2 207.321 1.812 40 0 BDABLP CC(C)[N@@H+]1CCC[C@@H]1c1nnc2n1CC[NH+](C)C2 ZINC000072373890 384216958 /nfs/dbraw/zinc/21/69/58/384216958.db2.gz ZLPSZMMVAORANL-LLVKDONJSA-N 2 2 249.362 1.269 40 0 BDABLP CC(C)[N@H+]1CCC[C@@H]1c1nnc2n1CC[NH+](C)C2 ZINC000072373890 384216961 /nfs/dbraw/zinc/21/69/61/384216961.db2.gz ZLPSZMMVAORANL-LLVKDONJSA-N 2 2 249.362 1.269 40 0 BDABLP CC(C)[NH+]1CCC[C@@H]1c1nnc2n1CC[N@@H+](C)C2 ZINC000072373890 384216965 /nfs/dbraw/zinc/21/69/65/384216965.db2.gz ZLPSZMMVAORANL-LLVKDONJSA-N 2 2 249.362 1.269 40 0 BDABLP CC(C)[NH+]1CCC[C@@H]1c1nnc2n1CC[N@H+](C)C2 ZINC000072373890 384216968 /nfs/dbraw/zinc/21/69/68/384216968.db2.gz ZLPSZMMVAORANL-LLVKDONJSA-N 2 2 249.362 1.269 40 0 BDABLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)C2(COC2)C1 ZINC000082344125 384669005 /nfs/dbraw/zinc/66/90/05/384669005.db2.gz CCVUPUKVQXRLAJ-ZDUSSCGKSA-N 2 2 232.327 1.379 40 0 BDABLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2)C2(COC2)C1 ZINC000082344125 384669013 /nfs/dbraw/zinc/66/90/13/384669013.db2.gz CCVUPUKVQXRLAJ-ZDUSSCGKSA-N 2 2 232.327 1.379 40 0 BDABLP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000050227818 385305774 /nfs/dbraw/zinc/30/57/74/385305774.db2.gz SYRDWDHCZXGSHJ-CYBMUJFWSA-N 2 2 204.317 1.782 40 0 BDABLP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000050227818 385305777 /nfs/dbraw/zinc/30/57/77/385305777.db2.gz SYRDWDHCZXGSHJ-CYBMUJFWSA-N 2 2 204.317 1.782 40 0 BDABLP CCC[C@H]([NH3+])C[N@H+](C)CCc1ccccn1 ZINC000036873596 385588406 /nfs/dbraw/zinc/58/84/06/385588406.db2.gz SPHSASOJTDPVSL-LBPRGKRZSA-N 2 2 221.348 1.683 40 0 BDABLP CCC[C@H]([NH3+])C[N@@H+](C)CCc1ccccn1 ZINC000036873596 385588409 /nfs/dbraw/zinc/58/84/09/385588409.db2.gz SPHSASOJTDPVSL-LBPRGKRZSA-N 2 2 221.348 1.683 40 0 BDABLP CC[C@@H](C)[C@@H]([NH3+])C[NH+]1CCSCC1 ZINC000020257450 385669168 /nfs/dbraw/zinc/66/91/68/385669168.db2.gz DXYMWDCYWUJHRU-ZJUUUORDSA-N 2 2 202.367 1.409 40 0 BDABLP C[NH+](C)CCCNC(=S)Nc1cc[nH+]cc1 ZINC000225403369 386190374 /nfs/dbraw/zinc/19/03/74/386190374.db2.gz SHUMHMUDEKQWFG-UHFFFAOYSA-N 2 2 238.360 1.320 40 0 BDABLP Cc1cc(C)cc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1 ZINC000247877461 386736394 /nfs/dbraw/zinc/73/63/94/386736394.db2.gz AXMRCBHFAITPLG-ZIAGYGMSSA-N 2 2 216.328 1.836 40 0 BDABLP Cc1cc(C)cc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1 ZINC000247877461 386736401 /nfs/dbraw/zinc/73/64/01/386736401.db2.gz AXMRCBHFAITPLG-ZIAGYGMSSA-N 2 2 216.328 1.836 40 0 BDABLP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccco1)C2 ZINC000096241252 387024767 /nfs/dbraw/zinc/02/47/67/387024767.db2.gz MQMYWDNJWFITHN-QWHCGFSZSA-N 2 2 238.306 1.803 40 0 BDABLP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccco1)C2 ZINC000096241252 387024770 /nfs/dbraw/zinc/02/47/70/387024770.db2.gz MQMYWDNJWFITHN-QWHCGFSZSA-N 2 2 238.306 1.803 40 0 BDABLP CC(C)Cn1nccc1C[NH2+]CCC[NH+](C)C ZINC000256050413 387859498 /nfs/dbraw/zinc/85/94/98/387859498.db2.gz DYGXHNUKHQHIML-UHFFFAOYSA-N 2 2 238.379 1.580 40 0 BDABLP CC(C)[C@H]([NH3+])C[N@H+](C)CCc1ccccn1 ZINC000020074313 388755643 /nfs/dbraw/zinc/75/56/43/388755643.db2.gz OVVFIILUGDNMOB-CYBMUJFWSA-N 2 2 221.348 1.539 40 0 BDABLP CC(C)[C@H]([NH3+])C[N@@H+](C)CCc1ccccn1 ZINC000020074313 388755646 /nfs/dbraw/zinc/75/56/46/388755646.db2.gz OVVFIILUGDNMOB-CYBMUJFWSA-N 2 2 221.348 1.539 40 0 BDABLP Cc1cc(N2CC[NH2+]CC2)nc(C2CC2)[nH+]1 ZINC000096516917 132242064 /nfs/dbraw/zinc/24/20/64/132242064.db2.gz CNKKOMXDIPIXEA-UHFFFAOYSA-N 2 2 218.304 1.072 40 0 BDABLP COc1ccc(C2(C[N@@H+]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000096523477 175084332 /nfs/dbraw/zinc/08/43/32/175084332.db2.gz CXSADOMALXXCDT-ZDUSSCGKSA-N 2 2 246.354 1.760 40 0 BDABLP COc1ccc(C2(C[N@H+]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000096523477 175084333 /nfs/dbraw/zinc/08/43/33/175084333.db2.gz CXSADOMALXXCDT-ZDUSSCGKSA-N 2 2 246.354 1.760 40 0 BDABLP COc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC000049661003 175102071 /nfs/dbraw/zinc/10/20/71/175102071.db2.gz CFCMHELKVQNTLH-LBPRGKRZSA-N 2 2 234.343 1.879 40 0 BDABLP COc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC000049661003 175102072 /nfs/dbraw/zinc/10/20/72/175102072.db2.gz CFCMHELKVQNTLH-LBPRGKRZSA-N 2 2 234.343 1.879 40 0 BDABLP COc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000095067834 175112077 /nfs/dbraw/zinc/11/20/77/175112077.db2.gz JQNQYLNDYXRZOM-LBPRGKRZSA-N 2 2 220.316 1.537 40 0 BDABLP COc1ccccc1[C@@H]1C[N@H+](C)C[C@@H]1[NH3+] ZINC000216434944 175348725 /nfs/dbraw/zinc/34/87/25/175348725.db2.gz RBSOSCGVVTWKBK-QWRGUYRKSA-N 2 2 206.289 1.052 40 0 BDABLP COc1ccccc1[C@@H]1C[N@@H+](C)C[C@@H]1[NH3+] ZINC000216434944 175348726 /nfs/dbraw/zinc/34/87/26/175348726.db2.gz RBSOSCGVVTWKBK-QWRGUYRKSA-N 2 2 206.289 1.052 40 0 BDABLP C[C@H](c1cnccn1)[N@H+](C)C1CC[NH2+]CC1 ZINC000072203844 177051817 /nfs/dbraw/zinc/05/18/17/177051817.db2.gz ZSDRVHYYBUTYDC-SNVBAGLBSA-N 2 2 220.320 1.221 40 0 BDABLP C[C@H](c1cnccn1)[N@@H+](C)C1CC[NH2+]CC1 ZINC000072203844 177051818 /nfs/dbraw/zinc/05/18/18/177051818.db2.gz ZSDRVHYYBUTYDC-SNVBAGLBSA-N 2 2 220.320 1.221 40 0 BDABLP O=C(CC[NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043220487 342790912 /nfs/dbraw/zinc/79/09/12/342790912.db2.gz NXJWMQUCLPZTME-ZDUSSCGKSA-N 2 2 232.327 1.601 40 0 BDABLP C[C@H](C[NH2+]CC[NH+](C)C)C(=O)OC(C)(C)C ZINC000047219059 343559276 /nfs/dbraw/zinc/55/92/76/343559276.db2.gz CAOMKFBBJBUIGT-SNVBAGLBSA-N 2 2 230.352 1.115 40 0 BDABLP C[NH2+][C@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000050269793 259369935 /nfs/dbraw/zinc/36/99/35/259369935.db2.gz VFTJEGSENIZJAG-SECBINFHSA-N 2 2 218.222 1.925 40 0 BDABLP CCc1ccc(OCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000041302303 350629741 /nfs/dbraw/zinc/62/97/41/350629741.db2.gz ZDMMTPLIYLZHTR-UHFFFAOYSA-N 2 2 248.370 1.923 40 0 BDABLP CCc1ccc(OCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000041302303 350629750 /nfs/dbraw/zinc/62/97/50/350629750.db2.gz ZDMMTPLIYLZHTR-UHFFFAOYSA-N 2 2 248.370 1.923 40 0 BDABLP CC[N@@H+]1CCC[C@@H](Nc2[nH+]cccc2N)C1 ZINC000049193288 355959927 /nfs/dbraw/zinc/95/99/27/355959927.db2.gz JFOUONBEBZLARB-SNVBAGLBSA-N 2 2 220.320 1.560 40 0 BDABLP CC[N@H+]1CCC[C@@H](Nc2[nH+]cccc2N)C1 ZINC000049193288 355959929 /nfs/dbraw/zinc/95/99/29/355959929.db2.gz JFOUONBEBZLARB-SNVBAGLBSA-N 2 2 220.320 1.560 40 0 BDABLP [NH3+]C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000037412682 181344945 /nfs/dbraw/zinc/34/49/45/181344945.db2.gz NVRMNFSPLNDWGX-UHFFFAOYSA-N 2 2 226.270 1.888 40 0 BDABLP [NH3+]CC[N@H+](Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000032103628 181390454 /nfs/dbraw/zinc/39/04/54/181390454.db2.gz PJKHVMMPALEKSR-UHFFFAOYSA-N 2 2 248.326 1.381 40 0 BDABLP [NH3+]CC[N@@H+](Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000032103628 181390457 /nfs/dbraw/zinc/39/04/57/181390457.db2.gz PJKHVMMPALEKSR-UHFFFAOYSA-N 2 2 248.326 1.381 40 0 BDABLP COc1cccc([C@@H]2C[N@H+](C)C[C@H]2[NH3+])c1 ZINC000074184982 369867376 /nfs/dbraw/zinc/86/73/76/369867376.db2.gz CVUZDGAQAXALIR-NWDGAFQWSA-N 2 2 206.289 1.052 40 0 BDABLP COc1cccc([C@@H]2C[N@@H+](C)C[C@H]2[NH3+])c1 ZINC000074184982 369867379 /nfs/dbraw/zinc/86/73/79/369867379.db2.gz CVUZDGAQAXALIR-NWDGAFQWSA-N 2 2 206.289 1.052 40 0 BDABLP c1cc([C@@H]2CCC[NH2+]2)ncc1C[NH+]1CCOCC1 ZINC000257198140 183360306 /nfs/dbraw/zinc/36/03/06/183360306.db2.gz UJQZCWYSXVQXIR-ZDUSSCGKSA-N 2 2 247.342 1.338 40 0 BDABLP CCC[C@@H]([NH3+])C[N@H+](C)CCc1c(C)noc1C ZINC000096523976 169393179 /nfs/dbraw/zinc/39/31/79/169393179.db2.gz UFFPDDBJNKNAMW-GFCCVEGCSA-N 2 2 239.363 1.893 40 0 BDABLP CCC[C@@H]([NH3+])C[N@@H+](C)CCc1c(C)noc1C ZINC000096523976 169393181 /nfs/dbraw/zinc/39/31/81/169393181.db2.gz UFFPDDBJNKNAMW-GFCCVEGCSA-N 2 2 239.363 1.893 40 0 BDABLP C[NH+](C)CCC[NH+]1Cc2ccccc2C1 ZINC000001677226 383921298 /nfs/dbraw/zinc/92/12/98/383921298.db2.gz NPHMVFQXZNFFRR-UHFFFAOYSA-N 2 2 204.317 1.954 40 0 BDABLP CC[N@H+](CC[NH3+])Cc1ccc(OC)cc1 ZINC000039318902 383902205 /nfs/dbraw/zinc/90/22/05/383902205.db2.gz NGEVOIHRMKJPNZ-UHFFFAOYSA-N 2 2 208.305 1.476 40 0 BDABLP CC[N@@H+](CC[NH3+])Cc1ccc(OC)cc1 ZINC000039318902 383902212 /nfs/dbraw/zinc/90/22/12/383902212.db2.gz NGEVOIHRMKJPNZ-UHFFFAOYSA-N 2 2 208.305 1.476 40 0 BDABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000072344153 384207126 /nfs/dbraw/zinc/20/71/26/384207126.db2.gz WCXJHQBSUIPWCO-JTQLQIEISA-N 2 2 243.314 1.649 40 0 BDABLP c1cn(-c2nccnc2[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000072344171 384207810 /nfs/dbraw/zinc/20/78/10/384207810.db2.gz MXSCSOOPAQFFIY-SECBINFHSA-N 2 2 215.260 1.087 40 0 BDABLP c1cn(-c2nccnc2[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000072344170 384208856 /nfs/dbraw/zinc/20/88/56/384208856.db2.gz MXSCSOOPAQFFIY-VIFPVBQESA-N 2 2 215.260 1.087 40 0 BDABLP c1cn(-c2cnc([C@@H]3CCC[NH2+]C3)cn2)c[nH+]1 ZINC000072386549 384220480 /nfs/dbraw/zinc/22/04/80/384220480.db2.gz QMIBXJIJRMRNHD-SNVBAGLBSA-N 2 2 229.287 1.129 40 0 BDABLP CCc1cc(N2CC[NH2+]CC2)nc(C2CC2)[nH+]1 ZINC000096516918 385255472 /nfs/dbraw/zinc/25/54/72/385255472.db2.gz WCGZGYGIRORZRQ-UHFFFAOYSA-N 2 2 232.331 1.326 40 0 BDABLP Cc1nc(N2CCC[NH2+]CC2)cc(C2CC2)[nH+]1 ZINC000096516916 385255578 /nfs/dbraw/zinc/25/55/78/385255578.db2.gz AFIMUSIDZOLZEP-UHFFFAOYSA-N 2 2 232.331 1.462 40 0 BDABLP Cc1ccc(C)c(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000038538984 385312607 /nfs/dbraw/zinc/31/26/07/385312607.db2.gz GWJKUDFNNQPDET-ZDUSSCGKSA-N 2 2 204.317 1.836 40 0 BDABLP Cc1ccc(C)c(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000038538984 385312612 /nfs/dbraw/zinc/31/26/12/385312612.db2.gz GWJKUDFNNQPDET-ZDUSSCGKSA-N 2 2 204.317 1.836 40 0 BDABLP [NH3+][C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1CO ZINC000096523469 385269483 /nfs/dbraw/zinc/26/94/83/385269483.db2.gz FBGLDEKTMMVMJS-UONOGXRCSA-N 2 2 234.343 1.013 40 0 BDABLP [NH3+][C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1CO ZINC000096523469 385269486 /nfs/dbraw/zinc/26/94/86/385269486.db2.gz FBGLDEKTMMVMJS-UONOGXRCSA-N 2 2 234.343 1.013 40 0 BDABLP c1ccc2c(c1)[nH]c1c2CC[NH2+][C@]12CCC[NH2+]C2 ZINC000034182485 385274140 /nfs/dbraw/zinc/27/41/40/385274140.db2.gz PHAZVTAAYUDKTB-HNNXBMFYSA-N 2 2 241.338 1.892 40 0 BDABLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000095097558 385436334 /nfs/dbraw/zinc/43/63/34/385436334.db2.gz WKYAMPGIQNSEHE-WCQYABFASA-N 2 2 219.332 1.956 40 0 BDABLP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000095097558 385436337 /nfs/dbraw/zinc/43/63/37/385436337.db2.gz WKYAMPGIQNSEHE-WCQYABFASA-N 2 2 219.332 1.956 40 0 BDABLP Cc1nc(N2CCC[C@H]([NH3+])C2)cc(C2CC2)[nH+]1 ZINC000575415069 387021438 /nfs/dbraw/zinc/02/14/38/387021438.db2.gz NMNSSEYTETZRFN-NSHDSACASA-N 2 2 232.331 1.590 40 0 BDABLP [NH3+][C@H]1C2CC[NH+](CC2)[C@@H]1Cc1ccccc1 ZINC000138644279 387707326 /nfs/dbraw/zinc/70/73/26/387707326.db2.gz XPPMDYURPXXBHC-KGLIPLIRSA-N 2 2 216.328 1.651 40 0 BDABLP C[NH+](C)CCC[NH2+]Cc1ccnn1C(F)F ZINC000256050951 387858996 /nfs/dbraw/zinc/85/89/96/387858996.db2.gz HDTOUNGCGIBIPZ-UHFFFAOYSA-N 2 2 232.278 1.320 40 0 BDABLP CCn1ccc(C[NH2+]CCC[NH+](CC)CC)n1 ZINC000256051465 387859239 /nfs/dbraw/zinc/85/92/39/387859239.db2.gz JGMKMKUOSGGZQP-UHFFFAOYSA-N 2 2 238.379 1.725 40 0 BDABLP CCc1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000038538718 388404751 /nfs/dbraw/zinc/40/47/51/388404751.db2.gz BGJSLMXSDOYNAH-ZDUSSCGKSA-N 2 2 204.317 1.782 40 0 BDABLP CCc1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000038538718 388404753 /nfs/dbraw/zinc/40/47/53/388404753.db2.gz BGJSLMXSDOYNAH-ZDUSSCGKSA-N 2 2 204.317 1.782 40 0 BDABLP [NH3+][C@@H](Cc1ccccc1)C[NH+]1CCSCC1 ZINC000020257466 388759817 /nfs/dbraw/zinc/75/98/17/388759817.db2.gz LOAVXSJBCMTOHM-ZDUSSCGKSA-N 2 2 236.384 1.605 40 0 BDABLP CCC[C@H]([NH3+])C[N@H+](C)CCc1ccncc1 ZINC000048260195 397976633 /nfs/dbraw/zinc/97/66/33/397976633.db2.gz ORCQCUYNGLIOBO-ZDUSSCGKSA-N 2 2 221.348 1.683 40 0 BDABLP CCC[C@H]([NH3+])C[N@@H+](C)CCc1ccncc1 ZINC000048260195 397976636 /nfs/dbraw/zinc/97/66/36/397976636.db2.gz ORCQCUYNGLIOBO-ZDUSSCGKSA-N 2 2 221.348 1.683 40 0 BDABLP C[N@@H+]1CCC[C@H]1c1nccnc1-n1cc[nH+]c1 ZINC000072382196 173057883 /nfs/dbraw/zinc/05/78/83/173057883.db2.gz JAOVEODSSMCAFP-JTQLQIEISA-N 2 2 229.287 1.429 40 0 BDABLP C[N@H+]1CCC[C@H]1c1nccnc1-n1cc[nH+]c1 ZINC000072382196 173057886 /nfs/dbraw/zinc/05/78/86/173057886.db2.gz JAOVEODSSMCAFP-JTQLQIEISA-N 2 2 229.287 1.429 40 0 BDABLP COc1cccc([C@@H]2C[NH2+]CCC[NH2+]2)c1 ZINC000022015864 175290452 /nfs/dbraw/zinc/29/04/52/175290452.db2.gz VRYOISCBTBWRJF-LBPRGKRZSA-N 2 2 206.289 1.319 40 0 BDABLP Clc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000072202934 487995064 /nfs/dbraw/zinc/99/50/64/487995064.db2.gz WNAHYHMDBDUZRE-NSHDSACASA-N 2 2 210.708 1.792 40 0 BDABLP Cc1cc(NCC[NH3+])nc(-c2ccccc2)[nH+]1 ZINC000008731081 178161097 /nfs/dbraw/zinc/16/10/97/178161097.db2.gz OADINNFJMIKRER-UHFFFAOYSA-N 2 2 228.299 1.823 40 0 BDABLP CC[C@@H]([NH3+])c1noc(C[NH+](CC)CC)n1 ZINC000070453698 259313786 /nfs/dbraw/zinc/31/37/86/259313786.db2.gz SPMCEKQNMMJYIM-MRVPVSSYSA-N 2 2 212.297 1.321 40 0 BDABLP CC[C@@H](C)[C@@H]([NH3+])C[N@H+](C)CCc1ccncc1 ZINC000048260175 343054771 /nfs/dbraw/zinc/05/47/71/343054771.db2.gz MSXXWKCWHXGNDA-OCCSQVGLSA-N 2 2 235.375 1.929 40 0 BDABLP CC[C@@H](C)[C@@H]([NH3+])C[N@@H+](C)CCc1ccncc1 ZINC000048260175 343054773 /nfs/dbraw/zinc/05/47/73/343054773.db2.gz MSXXWKCWHXGNDA-OCCSQVGLSA-N 2 2 235.375 1.929 40 0 BDABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1ccc(Cl)cc1 ZINC000022074967 136277861 /nfs/dbraw/zinc/27/78/61/136277861.db2.gz JQSPBIRSZVHZTA-JTQLQIEISA-N 2 2 242.750 1.400 40 0 BDABLP CCn1cc(C[N@H+](CC)C[C@H]([NH3+])C(C)C)cn1 ZINC000096523747 343758426 /nfs/dbraw/zinc/75/84/26/343758426.db2.gz XLFJKZMXUIHBMS-ZDUSSCGKSA-N 2 2 238.379 1.708 40 0 BDABLP CCn1cc(C[N@@H+](CC)C[C@H]([NH3+])C(C)C)cn1 ZINC000096523747 343758429 /nfs/dbraw/zinc/75/84/29/343758429.db2.gz XLFJKZMXUIHBMS-ZDUSSCGKSA-N 2 2 238.379 1.708 40 0 BDABLP C[C@]1(O)CC[NH2+]C[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000306046590 538043332 /nfs/dbraw/zinc/04/33/32/538043332.db2.gz TVUPGFUXRDARBK-CABCVRRESA-N 2 2 246.354 1.158 40 0 BDABLP C[C@]1(O)CC[NH2+]C[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000306046590 538043327 /nfs/dbraw/zinc/04/33/27/538043327.db2.gz TVUPGFUXRDARBK-CABCVRRESA-N 2 2 246.354 1.158 40 0 BDABLP CC[C@@H](C)[C@H]([NH3+])C[N@H+](C)CCc1ccccn1 ZINC000020074330 371226648 /nfs/dbraw/zinc/22/66/48/371226648.db2.gz SDYMBIVUPANRCP-TZMCWYRMSA-N 2 2 235.375 1.929 40 0 BDABLP CC[C@@H](C)[C@H]([NH3+])C[N@@H+](C)CCc1ccccn1 ZINC000020074330 371226654 /nfs/dbraw/zinc/22/66/54/371226654.db2.gz SDYMBIVUPANRCP-TZMCWYRMSA-N 2 2 235.375 1.929 40 0 BDABLP CCc1cc([NH3+])ccc1N1CC[NH+](C)CC1 ZINC000143981562 384054170 /nfs/dbraw/zinc/05/41/70/384054170.db2.gz SPKSVNDBTWXMMU-UHFFFAOYSA-N 2 2 219.332 1.583 40 0 BDABLP Fc1ccc(C[NH2+]C2CC[NH2+]CC2)c(F)c1 ZINC000051016997 384655457 /nfs/dbraw/zinc/65/54/57/384655457.db2.gz FPQNJPSIAOUUJF-UHFFFAOYSA-N 2 2 226.270 1.806 40 0 BDABLP Cc1ccn([C@@H](C)[C@H]2CCC[N@@H+]2CC[NH3+])n1 ZINC000022763124 384772475 /nfs/dbraw/zinc/77/24/75/384772475.db2.gz TZNNEOLHPHZQRJ-NWDGAFQWSA-N 2 2 222.336 1.176 40 0 BDABLP Cc1ccn([C@@H](C)[C@H]2CCC[N@H+]2CC[NH3+])n1 ZINC000022763124 384772479 /nfs/dbraw/zinc/77/24/79/384772479.db2.gz TZNNEOLHPHZQRJ-NWDGAFQWSA-N 2 2 222.336 1.176 40 0 BDABLP Cc1[nH+]c(C2CC2)nc(N2CCC[NH2+]CC2)c1C ZINC000096517015 385256280 /nfs/dbraw/zinc/25/62/80/385256280.db2.gz HOBYHQWFSPSEEU-UHFFFAOYSA-N 2 2 246.358 1.771 40 0 BDABLP CCc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050227817 385306177 /nfs/dbraw/zinc/30/61/77/385306177.db2.gz SYRDWDHCZXGSHJ-ZDUSSCGKSA-N 2 2 204.317 1.782 40 0 BDABLP CCc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050227817 385306180 /nfs/dbraw/zinc/30/61/80/385306180.db2.gz SYRDWDHCZXGSHJ-ZDUSSCGKSA-N 2 2 204.317 1.782 40 0 BDABLP Cc1noc(C)c1CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000096523593 385267196 /nfs/dbraw/zinc/26/71/96/385267196.db2.gz YGNXHYFQHCYZKL-LBPRGKRZSA-N 2 2 237.347 1.647 40 0 BDABLP Cc1noc(C)c1CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000096523593 385267201 /nfs/dbraw/zinc/26/72/01/385267201.db2.gz YGNXHYFQHCYZKL-LBPRGKRZSA-N 2 2 237.347 1.647 40 0 BDABLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1CO ZINC000096523470 385269053 /nfs/dbraw/zinc/26/90/53/385269053.db2.gz FBGLDEKTMMVMJS-ZIAGYGMSSA-N 2 2 234.343 1.013 40 0 BDABLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1CO ZINC000096523470 385269060 /nfs/dbraw/zinc/26/90/60/385269060.db2.gz FBGLDEKTMMVMJS-ZIAGYGMSSA-N 2 2 234.343 1.013 40 0 BDABLP CCCn1nc(C)cc1C[N@H+](C)CCC[NH3+] ZINC000096523787 385269540 /nfs/dbraw/zinc/26/95/40/385269540.db2.gz GKSCVFVVOKDQPX-UHFFFAOYSA-N 2 2 224.352 1.382 40 0 BDABLP CCCn1nc(C)cc1C[N@@H+](C)CCC[NH3+] ZINC000096523787 385269543 /nfs/dbraw/zinc/26/95/43/385269543.db2.gz GKSCVFVVOKDQPX-UHFFFAOYSA-N 2 2 224.352 1.382 40 0 BDABLP C([C@@H]1CCCC[NH2+]1)[NH+]1CCSCC1 ZINC000020257467 385669066 /nfs/dbraw/zinc/66/90/66/385669066.db2.gz TUIXDAZMOPIOKB-JTQLQIEISA-N 2 2 200.351 1.177 40 0 BDABLP CC[N@@H+](Cc1ccncc1)C[C@H]([NH3+])C(C)C ZINC000042516897 387272761 /nfs/dbraw/zinc/27/27/61/387272761.db2.gz ZBHJGBGPACUAAC-ZDUSSCGKSA-N 2 2 221.348 1.887 40 0 BDABLP CC[N@H+](Cc1ccncc1)C[C@H]([NH3+])C(C)C ZINC000042516897 387272766 /nfs/dbraw/zinc/27/27/66/387272766.db2.gz ZBHJGBGPACUAAC-ZDUSSCGKSA-N 2 2 221.348 1.887 40 0 BDABLP CC[NH+](CC)CCC[NH2+]Cc1ccn(C)n1 ZINC000112337189 387852345 /nfs/dbraw/zinc/85/23/45/387852345.db2.gz HEVZBYIFAHLGFO-UHFFFAOYSA-N 2 2 224.352 1.242 40 0 BDABLP Cc1nn(C(C)C)cc1C[NH2+]CCC[NH+](C)C ZINC000256050144 387858501 /nfs/dbraw/zinc/85/85/01/387858501.db2.gz CXQAOVWKQRGLCD-UHFFFAOYSA-N 2 2 238.379 1.814 40 0 BDABLP CC[C@@H](C)n1nccc1C[NH2+]CCC[NH+](C)C ZINC000256049550 398040830 /nfs/dbraw/zinc/04/08/30/398040830.db2.gz AKHJHOUKXQTUJS-GFCCVEGCSA-N 2 2 238.379 1.895 40 0 BDABLP CCn1cc(C[NH2+]CCC[NH+](C)C)c(C)n1 ZINC000256054810 172169931 /nfs/dbraw/zinc/16/99/31/172169931.db2.gz XWWQOTOUGMLCEO-UHFFFAOYSA-N 2 2 224.352 1.253 40 0 BDABLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096071567 173038757 /nfs/dbraw/zinc/03/87/57/173038757.db2.gz NMFWIHPLHLUGLM-OAHLLOKOSA-N 2 2 245.370 1.999 40 0 BDABLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096071567 173038760 /nfs/dbraw/zinc/03/87/60/173038760.db2.gz NMFWIHPLHLUGLM-OAHLLOKOSA-N 2 2 245.370 1.999 40 0 BDABLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096071567 173038761 /nfs/dbraw/zinc/03/87/61/173038761.db2.gz NMFWIHPLHLUGLM-OAHLLOKOSA-N 2 2 245.370 1.999 40 0 BDABLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096071567 173038763 /nfs/dbraw/zinc/03/87/63/173038763.db2.gz NMFWIHPLHLUGLM-OAHLLOKOSA-N 2 2 245.370 1.999 40 0 BDABLP Cn1c2ccccc2[nH+]c1N1CCC[C@@H]([NH3+])C1 ZINC000043220327 342790900 /nfs/dbraw/zinc/79/09/00/342790900.db2.gz BCLHKEHYRYFDLN-SNVBAGLBSA-N 2 2 230.315 1.501 40 0 BDABLP C[C@@]1(O)CC[NH2+]C[C@@H]1[N@@H+]1CCc2ccccc2C1 ZINC000306046593 537909440 /nfs/dbraw/zinc/90/94/40/537909440.db2.gz TVUPGFUXRDARBK-LSDHHAIUSA-N 2 2 246.354 1.158 40 0 BDABLP C[C@@]1(O)CC[NH2+]C[C@@H]1[N@H+]1CCc2ccccc2C1 ZINC000306046593 537909449 /nfs/dbraw/zinc/90/94/49/537909449.db2.gz TVUPGFUXRDARBK-LSDHHAIUSA-N 2 2 246.354 1.158 40 0 BDABLP CCC[C@@H]([NH3+])C[N@H+](C)CCc1ccccn1 ZINC000036873597 259412876 /nfs/dbraw/zinc/41/28/76/259412876.db2.gz SPHSASOJTDPVSL-GFCCVEGCSA-N 2 2 221.348 1.683 40 0 BDABLP CCC[C@@H]([NH3+])C[N@@H+](C)CCc1ccccn1 ZINC000036873597 259412877 /nfs/dbraw/zinc/41/28/77/259412877.db2.gz SPHSASOJTDPVSL-GFCCVEGCSA-N 2 2 221.348 1.683 40 0 BDABLP [NH3+][C@]1(c2ccccc2)C[NH+]2CCC1CC2 ZINC000019369085 363146921 /nfs/dbraw/zinc/14/69/21/363146921.db2.gz DJIGNFKTOGQDFW-ZDUSSCGKSA-N 2 2 202.301 1.566 40 0 BDABLP Fc1cc(F)c(C[NH2+]C2CC[NH2+]CC2)c(F)c1 ZINC000067802659 180950188 /nfs/dbraw/zinc/95/01/88/180950188.db2.gz KUJATDTYHDYOKE-UHFFFAOYSA-N 2 2 244.260 1.946 40 0 BDABLP Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000041213130 361463911 /nfs/dbraw/zinc/46/39/11/361463911.db2.gz SXANIIIGZZUZJR-ZDUSSCGKSA-N 2 2 204.317 1.837 40 0 BDABLP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000032553280 181391460 /nfs/dbraw/zinc/39/14/60/181391460.db2.gz ZHHZIWGQQIVSNH-GFCCVEGCSA-N 2 2 208.280 1.921 40 0 BDABLP [NH3+]CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000032553280 181391462 /nfs/dbraw/zinc/39/14/62/181391462.db2.gz ZHHZIWGQQIVSNH-GFCCVEGCSA-N 2 2 208.280 1.921 40 0 BDABLP [NH3+]CC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000032012032 181390592 /nfs/dbraw/zinc/39/05/92/181390592.db2.gz UYUCBMCZFQTOBJ-UHFFFAOYSA-N 2 2 208.280 1.749 40 0 BDABLP [NH3+]CC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000032012032 181390596 /nfs/dbraw/zinc/39/05/96/181390596.db2.gz UYUCBMCZFQTOBJ-UHFFFAOYSA-N 2 2 208.280 1.749 40 0 BDABLP CC(C)[N@H+](CC[NH3+])Cc1cccc(F)c1 ZINC000041056266 383903417 /nfs/dbraw/zinc/90/34/17/383903417.db2.gz FZSPRSGVXWZFKN-UHFFFAOYSA-N 2 2 210.296 1.995 40 0 BDABLP CC(C)[N@@H+](CC[NH3+])Cc1cccc(F)c1 ZINC000041056266 383903420 /nfs/dbraw/zinc/90/34/20/383903420.db2.gz FZSPRSGVXWZFKN-UHFFFAOYSA-N 2 2 210.296 1.995 40 0 BDABLP [NH3+]C[C@H]([NH3+])c1cc(Br)ccc1F ZINC000035677054 384088596 /nfs/dbraw/zinc/08/85/96/384088596.db2.gz GGKNULBCXWRZNY-QMMMGPOBSA-N 2 2 233.084 1.547 40 0 BDABLP [NH3+]C[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000035677029 384089180 /nfs/dbraw/zinc/08/91/80/384089180.db2.gz HSMPCGOCWQZZEB-MRVPVSSYSA-N 2 2 220.194 1.544 40 0 BDABLP C[C@H]([NH3+])C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062036375 384134212 /nfs/dbraw/zinc/13/42/12/384134212.db2.gz UTIBOHILZIMKDJ-LBPRGKRZSA-N 3 2 225.380 1.141 40 0 BDABLP C[NH2+][C@H]1CC[N@H+](C)Cc2ccc(F)cc21 ZINC000096509725 385247460 /nfs/dbraw/zinc/24/74/60/385247460.db2.gz YTUYANYHVAXFBR-LBPRGKRZSA-N 2 2 208.280 1.922 40 0 BDABLP C[NH2+][C@H]1CC[N@@H+](C)Cc2ccc(F)cc21 ZINC000096509725 385247467 /nfs/dbraw/zinc/24/74/67/385247467.db2.gz YTUYANYHVAXFBR-LBPRGKRZSA-N 2 2 208.280 1.922 40 0 BDABLP CN(C)c1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000096523654 385267049 /nfs/dbraw/zinc/26/70/49/385267049.db2.gz BWPSQNQBQJKIAB-UHFFFAOYSA-N 2 2 233.359 1.548 40 0 BDABLP CN(C)c1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000096523654 385267056 /nfs/dbraw/zinc/26/70/56/385267056.db2.gz BWPSQNQBQJKIAB-UHFFFAOYSA-N 2 2 233.359 1.548 40 0 BDABLP CCn1cc(C[NH2+]CCC[NH+](CC)CC)cn1 ZINC000050539422 387847419 /nfs/dbraw/zinc/84/74/19/387847419.db2.gz BFULFBIQRJOBPA-UHFFFAOYSA-N 2 2 238.379 1.725 40 0 BDABLP C[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccc(Cl)cc2)C1 ZINC000225606596 388623483 /nfs/dbraw/zinc/62/34/83/388623483.db2.gz LUHOAPONKQKMFS-MNOVXSKESA-N 2 2 210.708 1.696 40 0 BDABLP C[N@H+]1C[C@H]([NH3+])[C@@H](c2ccc(Cl)cc2)C1 ZINC000225606596 388623485 /nfs/dbraw/zinc/62/34/85/388623485.db2.gz LUHOAPONKQKMFS-MNOVXSKESA-N 2 2 210.708 1.696 40 0 BDABLP C[NH2+][C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439180 388695998 /nfs/dbraw/zinc/69/59/98/388695998.db2.gz DHWKWHZLDWGYGD-NSHDSACASA-N 2 2 247.346 1.239 40 0 BDABLP C[NH2+][C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439179 388696003 /nfs/dbraw/zinc/69/60/03/388696003.db2.gz DHWKWHZLDWGYGD-LLVKDONJSA-N 2 2 247.346 1.239 40 0 BDABLP COc1cccc2c(N3CC[NH2+]CC3)cc[nH+]c12 ZINC000040175319 132296165 /nfs/dbraw/zinc/29/61/65/132296165.db2.gz YFEYARNUBSQGMP-UHFFFAOYSA-N 2 2 243.310 1.653 40 0 BDABLP C[NH+](C)c1ccc(N2CC[NH+](C)CC2)cc1N ZINC000020271218 132330666 /nfs/dbraw/zinc/33/06/66/132330666.db2.gz BEJLZWCJVFDLHF-UHFFFAOYSA-N 2 2 234.347 1.087 40 0 BDABLP c1cc2ccc(N3CC[NH2+]CC3)cc2c[nH+]1 ZINC000026896005 132333584 /nfs/dbraw/zinc/33/35/84/132333584.db2.gz NDFDIGKFIOTRPZ-UHFFFAOYSA-N 2 2 213.284 1.644 40 0 in-vitro BDABLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccnc1 ZINC000096511173 173055232 /nfs/dbraw/zinc/05/52/32/173055232.db2.gz YBKZMBOJZAMGAS-LBPRGKRZSA-N 2 2 205.305 1.265 40 0 BDABLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccnc1 ZINC000096511173 173055233 /nfs/dbraw/zinc/05/52/33/173055233.db2.gz YBKZMBOJZAMGAS-LBPRGKRZSA-N 2 2 205.305 1.265 40 0 BDABLP COCC[N@@H+]1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257228005 174306069 /nfs/dbraw/zinc/30/60/69/174306069.db2.gz FRYLWTCHNBKDDM-LLVKDONJSA-N 2 2 223.320 1.544 40 0 BDABLP COCC[N@H+]1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257228005 174306071 /nfs/dbraw/zinc/30/60/71/174306071.db2.gz FRYLWTCHNBKDDM-LLVKDONJSA-N 2 2 223.320 1.544 40 0 BDABLP COc1cccc(CCC[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000096523489 175252238 /nfs/dbraw/zinc/25/22/38/175252238.db2.gz GMAMMKSADRNOBM-ZDUSSCGKSA-N 2 2 234.343 1.661 40 0 BDABLP COc1cccc(CCC[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000096523489 175252240 /nfs/dbraw/zinc/25/22/40/175252240.db2.gz GMAMMKSADRNOBM-ZDUSSCGKSA-N 2 2 234.343 1.661 40 0 BDABLP [NH3+][C@@H](CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000012398961 342851285 /nfs/dbraw/zinc/85/12/85/342851285.db2.gz YRNKYHIXQIVKIL-ZDUSSCGKSA-N 2 2 238.306 1.548 40 0 BDABLP CC(C)c1ccc(C[NH2+]CC[NH2+]CCO)cc1 ZINC000022076458 343039667 /nfs/dbraw/zinc/03/96/67/343039667.db2.gz SFSSNMNEQKEAPW-UHFFFAOYSA-N 2 2 236.359 1.482 40 0 BDABLP Cc1c[nH+]c(N)c(C(=O)C2CC[NH2+]CC2)c1 ZINC000164959932 191122812 /nfs/dbraw/zinc/12/28/12/191122812.db2.gz IWQITABQOUXXJC-UHFFFAOYSA-N 2 2 219.288 1.155 40 0 BDABLP Fc1cccc(F)c1C[NH2+]C1CC[NH2+]CC1 ZINC000067802672 181000043 /nfs/dbraw/zinc/00/00/43/181000043.db2.gz NNVXHFFYCYOTSY-UHFFFAOYSA-N 2 2 226.270 1.806 40 0 BDABLP Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000041213131 361463855 /nfs/dbraw/zinc/46/38/55/361463855.db2.gz SXANIIIGZZUZJR-CYBMUJFWSA-N 2 2 204.317 1.837 40 0 BDABLP C[C@H](c1ccccn1)[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000101620431 368340175 /nfs/dbraw/zinc/34/01/75/368340175.db2.gz HRJLOOKXADOPPF-NEPJUHHUSA-N 2 2 219.332 1.956 40 0 BDABLP C[C@H](c1ccccn1)[N@H+]1CCCC[C@H]1C[NH3+] ZINC000101620431 368340180 /nfs/dbraw/zinc/34/01/80/368340180.db2.gz HRJLOOKXADOPPF-NEPJUHHUSA-N 2 2 219.332 1.956 40 0 BDABLP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000261585494 183345987 /nfs/dbraw/zinc/34/59/87/183345987.db2.gz QMCFUFAIXOWHOA-CHWSQXEVSA-N 2 2 217.316 1.123 40 0 BDABLP c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000261585494 183345990 /nfs/dbraw/zinc/34/59/90/183345990.db2.gz QMCFUFAIXOWHOA-CHWSQXEVSA-N 2 2 217.316 1.123 40 0 BDABLP [NH3+]C[C@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000035677050 384088517 /nfs/dbraw/zinc/08/85/17/384088517.db2.gz GVWFYJNEJZYKID-QMMMGPOBSA-N 2 2 233.084 1.547 40 0 BDABLP [NH3+]C[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000035677108 384088939 /nfs/dbraw/zinc/08/89/39/384088939.db2.gz OEIJOMZGRVVYHM-MRVPVSSYSA-N 2 2 204.195 1.664 40 0 BDABLP c1cn(-c2cnc([C@@H]3CCC[NH2+]3)cn2)c[nH+]1 ZINC000072386547 384219564 /nfs/dbraw/zinc/21/95/64/384219564.db2.gz BINMHJUBWYOPJE-VIFPVBQESA-N 2 2 215.260 1.087 40 0 BDABLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)s1 ZINC000096054688 384428365 /nfs/dbraw/zinc/42/83/65/384428365.db2.gz ORINDZCBBJXHQO-ONGXEEELSA-N 2 2 208.330 1.590 40 0 BDABLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)s1 ZINC000096054688 384428370 /nfs/dbraw/zinc/42/83/70/384428370.db2.gz ORINDZCBBJXHQO-ONGXEEELSA-N 2 2 208.330 1.590 40 0 BDABLP CCC[C@H]([NH3+])C[N@H+](CC)Cc1cnn(CC)c1 ZINC000096523983 385271622 /nfs/dbraw/zinc/27/16/22/385271622.db2.gz ZEQIKVPKGYRXIY-ZDUSSCGKSA-N 2 2 238.379 1.852 40 0 BDABLP CCC[C@H]([NH3+])C[N@@H+](CC)Cc1cnn(CC)c1 ZINC000096523983 385271625 /nfs/dbraw/zinc/27/16/25/385271625.db2.gz ZEQIKVPKGYRXIY-ZDUSSCGKSA-N 2 2 238.379 1.852 40 0 BDABLP CCC[C@@H]([NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000036873527 385588352 /nfs/dbraw/zinc/58/83/52/385588352.db2.gz DGMHJCNMJBCORC-CQSZACIVSA-N 2 2 247.386 1.936 40 0 BDABLP c1cc([C@H]2CCC[NH2+]2)ncc1C[NH+]1CCOCC1 ZINC000257198139 385753460 /nfs/dbraw/zinc/75/34/60/385753460.db2.gz UJQZCWYSXVQXIR-CYBMUJFWSA-N 2 2 247.342 1.338 40 0 BDABLP C[NH+](C)CC(C[NH+](C)C)c1ccccn1 ZINC000001717684 385863592 /nfs/dbraw/zinc/86/35/92/385863592.db2.gz SQUSMNIRSHYNOQ-UHFFFAOYSA-N 2 2 207.321 1.288 40 0 in-vitro BDABLP CC(C)N1Cc2c[nH+]cn2[C@@H](C[NH+](C)C)C1 ZINC000248125740 167035702 /nfs/dbraw/zinc/03/57/02/167035702.db2.gz ONKJSZPMQAYKCX-LBPRGKRZSA-N 2 2 222.336 1.210 40 0 BDABLP C[NH+](C)C[C@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000062702160 411220090 /nfs/dbraw/zinc/22/00/90/411220090.db2.gz GHGQETRMMUTEAD-JOYOIKCWSA-N 2 2 206.289 1.257 40 0 BDABLP C[N@H+]1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350490 173048694 /nfs/dbraw/zinc/04/86/94/173048694.db2.gz FYLHNAPUXRZQEA-NSHDSACASA-N 2 2 243.314 1.472 40 0 BDABLP C[N@@H+]1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350490 173048691 /nfs/dbraw/zinc/04/86/91/173048691.db2.gz FYLHNAPUXRZQEA-NSHDSACASA-N 2 2 243.314 1.472 40 0 BDABLP C[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000037240658 173323071 /nfs/dbraw/zinc/32/30/71/173323071.db2.gz LOUNXYDDRUSYSK-UHFFFAOYSA-N 2 2 234.343 1.879 40 0 BDABLP COCC[N@H+]1CC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257310118 174316511 /nfs/dbraw/zinc/31/65/11/174316511.db2.gz UDTKXOPPLHVMDV-JTQLQIEISA-N 2 2 209.293 1.154 40 0 BDABLP COc1c(C)c(C)ccc1C[NH2+]CC[NH3+] ZINC000095094950 174927646 /nfs/dbraw/zinc/92/76/46/174927646.db2.gz YKUPLYRRSCXCDH-UHFFFAOYSA-N 2 2 208.305 1.360 40 0 BDABLP COc1cc(NC2CC[NH2+]CC2)cc[nH+]1 ZINC000098213763 175001783 /nfs/dbraw/zinc/00/17/83/175001783.db2.gz NJNPEEMTHHKSAQ-UHFFFAOYSA-N 2 2 207.277 1.254 40 0 BDABLP COc1ccc(CCC[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000096523485 175089879 /nfs/dbraw/zinc/08/98/79/175089879.db2.gz LOPALQJPUHTKSZ-ZDUSSCGKSA-N 2 2 234.343 1.661 40 0 BDABLP COc1ccc(CCC[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000096523485 175089881 /nfs/dbraw/zinc/08/98/81/175089881.db2.gz LOPALQJPUHTKSZ-ZDUSSCGKSA-N 2 2 234.343 1.661 40 0 BDABLP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000095067833 175110378 /nfs/dbraw/zinc/11/03/78/175110378.db2.gz JQNQYLNDYXRZOM-GFCCVEGCSA-N 2 2 220.316 1.537 40 0 BDABLP COc1ccc([C@@H]2C[N@H+](C)C[C@H]2[NH3+])cc1OC ZINC000082331250 175183825 /nfs/dbraw/zinc/18/38/25/175183825.db2.gz IKTSEWAJPWGXLC-WDEREUQCSA-N 2 2 236.315 1.060 40 0 BDABLP COc1ccc([C@@H]2C[N@@H+](C)C[C@H]2[NH3+])cc1OC ZINC000082331250 175183827 /nfs/dbraw/zinc/18/38/27/175183827.db2.gz IKTSEWAJPWGXLC-WDEREUQCSA-N 2 2 236.315 1.060 40 0 BDABLP C[C@@H](C[NH2+]CC[NH+](C)C)C(=O)OC(C)(C)C ZINC000047219058 175731393 /nfs/dbraw/zinc/73/13/93/175731393.db2.gz CAOMKFBBJBUIGT-JTQLQIEISA-N 2 2 230.352 1.115 40 0 BDABLP CC(C)Oc1cccc(C[NH2+]CC[NH3+])c1 ZINC000041043337 259318248 /nfs/dbraw/zinc/31/82/48/259318248.db2.gz KAAAKOOLJLTOGG-UHFFFAOYSA-N 2 2 208.305 1.522 40 0 BDABLP [NH3+][C@@H]1CCCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000041029872 343784415 /nfs/dbraw/zinc/78/44/15/343784415.db2.gz QHMHLVLAIGTQKA-LLVKDONJSA-N 2 2 230.315 1.257 40 0 BDABLP Cc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000096054112 179277131 /nfs/dbraw/zinc/27/71/31/179277131.db2.gz RCLLZSGWBBWXJG-GXTWGEPZSA-N 2 2 216.328 1.789 40 0 BDABLP Cc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000096054112 179277133 /nfs/dbraw/zinc/27/71/33/179277133.db2.gz RCLLZSGWBBWXJG-GXTWGEPZSA-N 2 2 216.328 1.789 40 0 BDABLP CC[NH+](CC)CC[NH2+]C[C@H]1CCCOC1 ZINC000038045935 350303517 /nfs/dbraw/zinc/30/35/17/350303517.db2.gz RPEIOYHLXUHADF-GFCCVEGCSA-N 2 2 214.353 1.344 40 0 BDABLP CC[N@@H+]1CCC[C@H](Nc2[nH+]cccc2N)C1 ZINC000049193285 355960041 /nfs/dbraw/zinc/96/00/41/355960041.db2.gz JFOUONBEBZLARB-JTQLQIEISA-N 2 2 220.320 1.560 40 0 BDABLP CC[N@H+]1CCC[C@H](Nc2[nH+]cccc2N)C1 ZINC000049193285 355960043 /nfs/dbraw/zinc/96/00/43/355960043.db2.gz JFOUONBEBZLARB-JTQLQIEISA-N 2 2 220.320 1.560 40 0 BDABLP c1cn(-c2cncc([C@@H]3CCC[NH2+]C3)n2)c[nH+]1 ZINC000072355916 183465007 /nfs/dbraw/zinc/46/50/07/183465007.db2.gz OFTWBRDKVJUEKZ-SNVBAGLBSA-N 2 2 229.287 1.129 40 0 BDABLP [NH3+]C[C@@H]([NH3+])c1cccc(Br)c1 ZINC000035677128 383866136 /nfs/dbraw/zinc/86/61/36/383866136.db2.gz SWWWAQPDPMNNLH-MRVPVSSYSA-N 2 2 215.094 1.408 40 0 BDABLP [NH3+]C[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000035677109 384087723 /nfs/dbraw/zinc/08/77/23/384087723.db2.gz OEIJOMZGRVVYHM-QMMMGPOBSA-N 2 2 204.195 1.664 40 0 BDABLP [NH3+]C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000035677116 384088387 /nfs/dbraw/zinc/08/83/87/384088387.db2.gz PUJYRAIIWDESCZ-MRVPVSSYSA-N 2 2 204.195 1.664 40 0 BDABLP [NH3+]C[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000035677117 384090277 /nfs/dbraw/zinc/09/02/77/384090277.db2.gz PUJYRAIIWDESCZ-QMMMGPOBSA-N 2 2 204.195 1.664 40 0 BDABLP C[C@@](C[NH3+])(c1ccccc1)[NH+]1CCCC1 ZINC000070453374 384563829 /nfs/dbraw/zinc/56/38/29/384563829.db2.gz PFCQTLKUFBZCCE-CYBMUJFWSA-N 2 2 204.317 1.956 40 0 BDABLP C[NH+](C)CC[NH2+]C/C=C/c1ccccc1 ZINC000022075261 384730821 /nfs/dbraw/zinc/73/08/21/384730821.db2.gz MDJZZVXPMQVXPO-RMKNXTFCSA-N 2 2 204.317 1.851 40 0 BDABLP CSCC[C@@H]([NH3+])C[NH+]1CCCCC1 ZINC000096523852 385269030 /nfs/dbraw/zinc/26/90/30/385269030.db2.gz NBUHLSCIHHRHFA-SNVBAGLBSA-N 2 2 202.367 1.553 40 0 BDABLP CC[C@H](C)[C@@H]([NH3+])C[NH+]1CCSCC1 ZINC000020257451 385668636 /nfs/dbraw/zinc/66/86/36/385668636.db2.gz DXYMWDCYWUJHRU-UWVGGRQHSA-N 2 2 202.367 1.409 40 0 BDABLP [NH3+][C@@]12C[C@@H]1C[N@H+](CCc1ccccc1)C2 ZINC000247651391 386729408 /nfs/dbraw/zinc/72/94/08/386729408.db2.gz NKGDBPKVSONMNG-CHWSQXEVSA-N 2 2 202.301 1.262 40 0 BDABLP [NH3+][C@@]12C[C@@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000247651391 386729412 /nfs/dbraw/zinc/72/94/12/386729412.db2.gz NKGDBPKVSONMNG-CHWSQXEVSA-N 2 2 202.301 1.262 40 0 BDABLP C[NH+](C)CCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000256052125 387860971 /nfs/dbraw/zinc/86/09/71/387860971.db2.gz LZUNUASEJCXHGC-UHFFFAOYSA-N 2 2 246.305 1.190 40 0 BDABLP Fc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000095067823 388591055 /nfs/dbraw/zinc/59/10/55/388591055.db2.gz SRKONTQQZJMAAS-GFCCVEGCSA-N 2 2 208.280 1.667 40 0 BDABLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1nccs1 ZINC000070634000 388731283 /nfs/dbraw/zinc/73/12/83/388731283.db2.gz CZUWLKVCZMANGS-MRVPVSSYSA-N 2 2 211.334 1.546 40 0 BDABLP COc1ccc(F)cc1C[NH+]1CCC([NH3+])CC1 ZINC000036754803 175128566 /nfs/dbraw/zinc/12/85/66/175128566.db2.gz MHJCEGLFOVRXNP-UHFFFAOYSA-N 2 2 238.306 1.757 40 0 BDABLP C[C@H](c1ccccn1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000096319961 177044246 /nfs/dbraw/zinc/04/42/46/177044246.db2.gz HRJLOOKXADOPPF-VXGBXAGGSA-N 2 2 219.332 1.956 40 0 BDABLP C[C@H](c1ccccn1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000096319961 177044247 /nfs/dbraw/zinc/04/42/47/177044247.db2.gz HRJLOOKXADOPPF-VXGBXAGGSA-N 2 2 219.332 1.956 40 0 BDABLP [NH3+]CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000037712269 323107779 /nfs/dbraw/zinc/10/77/79/323107779.db2.gz CQAORIVRPSWTFX-UHFFFAOYSA-N 2 2 218.222 1.754 40 0 BDABLP Cc1ccccc1C[N@H+](CC[NH3+])C1CC1 ZINC000032010387 179271560 /nfs/dbraw/zinc/27/15/60/179271560.db2.gz VUCSKGMNVZVQCV-UHFFFAOYSA-N 2 2 204.317 1.918 40 0 BDABLP Cc1ccccc1C[N@@H+](CC[NH3+])C1CC1 ZINC000032010387 179271563 /nfs/dbraw/zinc/27/15/63/179271563.db2.gz VUCSKGMNVZVQCV-UHFFFAOYSA-N 2 2 204.317 1.918 40 0 BDABLP Cc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000072203995 179280971 /nfs/dbraw/zinc/28/09/71/179280971.db2.gz OJDPFJQPNDUPRO-CYBMUJFWSA-N 2 2 204.317 1.837 40 0 BDABLP Cc1nc(N2CC[C@H]([NH3+])C2)c2c([nH+]1)CCCC2 ZINC000096516909 180067773 /nfs/dbraw/zinc/06/77/73/180067773.db2.gz DSWFTYHKSAYEQJ-JTQLQIEISA-N 2 2 232.331 1.201 40 0 BDABLP CC[C@](C(N)=[NH2+])(c1ccccc1)[NH+](C)C ZINC000031629025 350396978 /nfs/dbraw/zinc/39/69/78/350396978.db2.gz DWHSFAHUKWWLSI-GFCCVEGCSA-N 2 2 205.305 1.789 40 0 BDABLP C[N@H+](CCc1ccccn1)C[C@H]1CCCC[NH2+]1 ZINC000020074299 371227134 /nfs/dbraw/zinc/22/71/34/371227134.db2.gz YBJOCACJYAPFLM-CQSZACIVSA-N 2 2 233.359 1.698 40 0 BDABLP C[N@@H+](CCc1ccccn1)C[C@H]1CCCC[NH2+]1 ZINC000020074299 371227136 /nfs/dbraw/zinc/22/71/36/371227136.db2.gz YBJOCACJYAPFLM-CQSZACIVSA-N 2 2 233.359 1.698 40 0 BDABLP c1ccc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)nc1 ZINC000096226818 183399633 /nfs/dbraw/zinc/39/96/33/183399633.db2.gz UBQSDDNENFMEHT-AWEZNQCLSA-N 2 2 247.342 1.036 40 0 BDABLP c1ccc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)nc1 ZINC000096226818 183399634 /nfs/dbraw/zinc/39/96/34/183399634.db2.gz UBQSDDNENFMEHT-AWEZNQCLSA-N 2 2 247.342 1.036 40 0 BDABLP c1cn(-c2cncc([C@H]3CCC[NH2+]C3)n2)c[nH+]1 ZINC000072355917 183465615 /nfs/dbraw/zinc/46/56/15/183465615.db2.gz OFTWBRDKVJUEKZ-JTQLQIEISA-N 2 2 229.287 1.129 40 0 BDABLP C[N@@H+](Cc1ccccc1)Cn1cc[nH+]c1 ZINC000001705807 383925503 /nfs/dbraw/zinc/92/55/03/383925503.db2.gz FQKLSTBZMJQKIB-UHFFFAOYSA-N 2 2 201.273 1.973 40 0 in-vitro BDABLP C[N@H+](Cc1ccccc1)Cn1cc[nH+]c1 ZINC000001705807 383925506 /nfs/dbraw/zinc/92/55/06/383925506.db2.gz FQKLSTBZMJQKIB-UHFFFAOYSA-N 2 2 201.273 1.973 40 0 in-vitro BDABLP [NH3+]C[C@@H](c1cccnc1)[NH+]1CCCCCC1 ZINC000022171655 383988921 /nfs/dbraw/zinc/98/89/21/383988921.db2.gz UAAPPVMYDVRVQA-ZDUSSCGKSA-N 2 2 219.332 1.957 40 0 BDABLP Cc1nc(C2CC[NH2+]CC2)cc(-n2cc[nH+]c2)n1 ZINC000072386554 384219261 /nfs/dbraw/zinc/21/92/61/384219261.db2.gz MKVKETWZNYYEHU-UHFFFAOYSA-N 2 2 243.314 1.438 40 0 BDABLP c1cn(-c2ccc(CC[C@@H]3CCC[NH2+]3)nn2)c[nH+]1 ZINC000072386552 384220439 /nfs/dbraw/zinc/22/04/39/384220439.db2.gz ISFPDXKHOCQVAD-NSHDSACASA-N 2 2 243.314 1.347 40 0 BDABLP COC[C@H]1Cn2c[nH+]cc2C[N@@H+](C2CCC2)C1 ZINC000096206790 384443684 /nfs/dbraw/zinc/44/36/84/384443684.db2.gz JOAKSVFAXPXOAP-LLVKDONJSA-N 2 2 235.331 1.514 40 0 BDABLP COC[C@H]1Cn2c[nH+]cc2C[N@H+](C2CCC2)C1 ZINC000096206790 384443687 /nfs/dbraw/zinc/44/36/87/384443687.db2.gz JOAKSVFAXPXOAP-LLVKDONJSA-N 2 2 235.331 1.514 40 0 BDABLP CCc1cc(N2CCC[NH2+]CC2)nc(C2CC2)[nH+]1 ZINC000096517008 385254514 /nfs/dbraw/zinc/25/45/14/385254514.db2.gz YLPPNGLKNZLBRO-UHFFFAOYSA-N 2 2 246.358 1.716 40 0 BDABLP [NH3+][C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000050242960 385306534 /nfs/dbraw/zinc/30/65/34/385306534.db2.gz KSKCHOMALLABJE-NSHDSACASA-N 2 2 224.279 1.238 40 0 BDABLP [NH3+][C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000050242960 385306539 /nfs/dbraw/zinc/30/65/39/385306539.db2.gz KSKCHOMALLABJE-NSHDSACASA-N 2 2 224.279 1.238 40 0 BDABLP CC[NH+](CC)c1ccc([C@@H]2C[C@]2(C[NH3+])CO)cc1 ZINC000062713430 385697274 /nfs/dbraw/zinc/69/72/74/385697274.db2.gz PBYWNARSXHOGLV-GJZGRUSLSA-N 2 2 248.370 1.958 40 0 BDABLP C[C@]12CCC[NH2+][C@@H]1CCCN2Cc1[nH]cc[nH+]1 ZINC000257223799 385755424 /nfs/dbraw/zinc/75/54/24/385755424.db2.gz DYXZQYFQUOMKTG-YPMHNXCESA-N 2 2 234.347 1.516 40 0 BDABLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC000257317689 385764177 /nfs/dbraw/zinc/76/41/77/385764177.db2.gz VKUNSVPFKSWEQH-AWEZNQCLSA-N 2 2 246.358 1.708 40 0 BDABLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC000257317689 385764180 /nfs/dbraw/zinc/76/41/80/385764180.db2.gz VKUNSVPFKSWEQH-AWEZNQCLSA-N 2 2 246.358 1.708 40 0 BDABLP CC[C@@H](C)[C@H]([NH3+])C[N@H+](C)CCc1ccncc1 ZINC000039794733 386158371 /nfs/dbraw/zinc/15/83/71/386158371.db2.gz MSXXWKCWHXGNDA-TZMCWYRMSA-N 2 2 235.375 1.929 40 0 BDABLP CC[C@@H](C)[C@H]([NH3+])C[N@@H+](C)CCc1ccncc1 ZINC000039794733 386158372 /nfs/dbraw/zinc/15/83/72/386158372.db2.gz MSXXWKCWHXGNDA-TZMCWYRMSA-N 2 2 235.375 1.929 40 0 BDABLP [NH3+][C@@H]1C2CC[NH+](CC2)[C@@H]1Cc1ccccc1 ZINC000138644020 387707605 /nfs/dbraw/zinc/70/76/05/387707605.db2.gz XPPMDYURPXXBHC-ZIAGYGMSSA-N 2 2 216.328 1.651 40 0 BDABLP CCCn1cc(C[NH2+]CCC[NH+](C)C)c(C)n1 ZINC000256054743 387862241 /nfs/dbraw/zinc/86/22/41/387862241.db2.gz XOVMLFACAAKSPV-UHFFFAOYSA-N 2 2 238.379 1.643 40 0 BDABLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccco1)C2 ZINC000107244621 388615889 /nfs/dbraw/zinc/61/58/89/388615889.db2.gz MQMYWDNJWFITHN-CHWSQXEVSA-N 2 2 238.306 1.803 40 0 BDABLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccco1)C2 ZINC000107244621 388615891 /nfs/dbraw/zinc/61/58/91/388615891.db2.gz MQMYWDNJWFITHN-CHWSQXEVSA-N 2 2 238.306 1.803 40 0 BDABLP C[NH+]1CCC(c2cc[nH+]c(NCCO)c2)CC1 ZINC000072386578 173002175 /nfs/dbraw/zinc/00/21/75/173002175.db2.gz BJOLFKPUYXFBOH-UHFFFAOYSA-N 2 2 235.331 1.295 40 0 BDABLP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000096523545 175099902 /nfs/dbraw/zinc/09/99/02/175099902.db2.gz KISPTFPFIAPUTP-ZDUSSCGKSA-N 2 2 234.343 1.927 40 0 BDABLP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000096523545 175099904 /nfs/dbraw/zinc/09/99/04/175099904.db2.gz KISPTFPFIAPUTP-ZDUSSCGKSA-N 2 2 234.343 1.927 40 0 BDABLP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1C ZINC000038539698 175100253 /nfs/dbraw/zinc/10/02/53/175100253.db2.gz INHCQUCRPMSGEX-ZDUSSCGKSA-N 2 2 234.343 1.927 40 0 BDABLP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1C ZINC000038539698 175100255 /nfs/dbraw/zinc/10/02/55/175100255.db2.gz INHCQUCRPMSGEX-ZDUSSCGKSA-N 2 2 234.343 1.927 40 0 BDABLP COc1ccccc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000031993147 175327699 /nfs/dbraw/zinc/32/76/99/175327699.db2.gz XPVNDSRDSMMTNO-LBPRGKRZSA-N 2 2 220.316 1.618 40 0 BDABLP COc1ccccc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000031993147 175327701 /nfs/dbraw/zinc/32/77/01/175327701.db2.gz XPVNDSRDSMMTNO-LBPRGKRZSA-N 2 2 220.316 1.618 40 0 BDABLP COc1ccccc1[C@H]1CCC[N@@H+]1CC[NH3+] ZINC000032553273 175354333 /nfs/dbraw/zinc/35/43/33/175354333.db2.gz GSHJKQGKUVWUDF-GFCCVEGCSA-N 2 2 220.316 1.791 40 0 BDABLP COc1ccccc1[C@H]1CCC[N@H+]1CC[NH3+] ZINC000032553273 175354334 /nfs/dbraw/zinc/35/43/34/175354334.db2.gz GSHJKQGKUVWUDF-GFCCVEGCSA-N 2 2 220.316 1.791 40 0 BDABLP COc1ccc[nH+]c1NC1CC[NH2+]CC1 ZINC000096029492 175357184 /nfs/dbraw/zinc/35/71/84/175357184.db2.gz MTPQBHIOUHTRSF-UHFFFAOYSA-N 2 2 207.277 1.254 40 0 BDABLP CC(C)c1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000071491407 534909765 /nfs/dbraw/zinc/90/97/65/534909765.db2.gz TZYJPNYWVRVCLM-UHFFFAOYSA-N 2 2 206.293 1.010 40 0 BDABLP