smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)CCC3CCCC3)C2)CC1 ZINC000020542629 182229299 /nfs/dbraw/zinc/22/92/99/182229299.db2.gz VZTRHOCXGFPNSM-KRWDZBQOSA-N 2 2 321.509 2.632 10 0 DFAELP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)CCC3CCCC3)C2)CC1 ZINC000020542629 182229301 /nfs/dbraw/zinc/22/93/01/182229301.db2.gz VZTRHOCXGFPNSM-KRWDZBQOSA-N 2 2 321.509 2.632 10 0 DFAELP COc1cc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000039789188 183021603 /nfs/dbraw/zinc/02/16/03/183021603.db2.gz JZRYDXXDJKDWLZ-GUTXKFCHSA-N 2 2 322.449 2.690 10 0 DFAELP COc1cc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000039789188 183021604 /nfs/dbraw/zinc/02/16/04/183021604.db2.gz JZRYDXXDJKDWLZ-GUTXKFCHSA-N 2 2 322.449 2.690 10 0 DFAELP CC(C)[N@H+](CCO)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042955225 183322250 /nfs/dbraw/zinc/32/22/50/183322250.db2.gz BLWJDCKLWIQHSB-BXUZGUMPSA-N 2 2 315.255 2.540 10 0 DFAELP CC(C)[N@@H+](CCO)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042955225 183322252 /nfs/dbraw/zinc/32/22/52/183322252.db2.gz BLWJDCKLWIQHSB-BXUZGUMPSA-N 2 2 315.255 2.540 10 0 DFAELP CC(C)(C)OC(=O)Nc1cccc([C@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616613001 399489475 /nfs/dbraw/zinc/48/94/75/399489475.db2.gz VKBFXERVRQREFT-AWEZNQCLSA-N 2 2 305.422 2.782 10 0 DFAELP CC(C)(C)OC(=O)Nc1cccc([C@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616613001 399489479 /nfs/dbraw/zinc/48/94/79/399489479.db2.gz VKBFXERVRQREFT-AWEZNQCLSA-N 2 2 305.422 2.782 10 0 DFAELP CC(=O)Nc1ccc([C@@H]2c3ccccc3CC[N@H+]2CC[NH3+])cc1 ZINC000616681155 399498429 /nfs/dbraw/zinc/49/84/29/399498429.db2.gz VCHNAMHHTQFEMH-LJQANCHMSA-N 2 2 309.413 2.551 10 0 DFAELP CC(=O)Nc1ccc([C@@H]2c3ccccc3CC[N@@H+]2CC[NH3+])cc1 ZINC000616681155 399498433 /nfs/dbraw/zinc/49/84/33/399498433.db2.gz VCHNAMHHTQFEMH-LJQANCHMSA-N 2 2 309.413 2.551 10 0 DFAELP Cc1[nH+]c2ccccn2c1CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261613455 146247069 /nfs/dbraw/zinc/24/70/69/146247069.db2.gz CFDHIPWZHGMAFB-KRWDZBQOSA-N 2 2 324.403 2.928 10 0 DFAELP CC1(C)C[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] ZINC000261662736 146256469 /nfs/dbraw/zinc/25/64/69/146256469.db2.gz FTDDTVVWPOUSKR-INIZCTEOSA-N 2 2 302.397 2.571 10 0 DFAELP CC1(C)C[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] ZINC000261662736 146256472 /nfs/dbraw/zinc/25/64/72/146256472.db2.gz FTDDTVVWPOUSKR-INIZCTEOSA-N 2 2 302.397 2.571 10 0 DFAELP CC1(C)C[N@H+](Cc2c(C3CC3)nc3sccn23)CC[C@@H]1[NH3+] ZINC000261769500 146273536 /nfs/dbraw/zinc/27/35/36/146273536.db2.gz SBXQCTMFDBVKAK-ZDUSSCGKSA-N 2 2 304.463 2.832 10 0 DFAELP CC1(C)C[N@@H+](Cc2c(C3CC3)nc3sccn23)CC[C@@H]1[NH3+] ZINC000261769500 146273537 /nfs/dbraw/zinc/27/35/37/146273537.db2.gz SBXQCTMFDBVKAK-ZDUSSCGKSA-N 2 2 304.463 2.832 10 0 DFAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261824535 146283379 /nfs/dbraw/zinc/28/33/79/146283379.db2.gz YGNQYJXIBDVVAW-RISCZKNCSA-N 2 2 309.841 2.726 10 0 DFAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261824535 146283381 /nfs/dbraw/zinc/28/33/81/146283381.db2.gz YGNQYJXIBDVVAW-RISCZKNCSA-N 2 2 309.841 2.726 10 0 DFAELP CC1(C)C[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)CC[C@@H]1[NH3+] ZINC000262086815 146332053 /nfs/dbraw/zinc/33/20/53/146332053.db2.gz GDXFIHVGEBNWPV-INIZCTEOSA-N 2 2 320.387 2.710 10 0 DFAELP CC1(C)C[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)CC[C@@H]1[NH3+] ZINC000262086815 146332055 /nfs/dbraw/zinc/33/20/55/146332055.db2.gz GDXFIHVGEBNWPV-INIZCTEOSA-N 2 2 320.387 2.710 10 0 DFAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262315843 146350181 /nfs/dbraw/zinc/35/01/81/146350181.db2.gz QHGRRHZMBKRZSV-APWZRJJASA-N 2 2 302.462 2.708 10 0 DFAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000262537306 146369317 /nfs/dbraw/zinc/36/93/17/146369317.db2.gz QLPMILUTADCIDZ-INIZCTEOSA-N 2 2 303.450 2.808 10 0 DFAELP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000262537306 146369318 /nfs/dbraw/zinc/36/93/18/146369318.db2.gz QLPMILUTADCIDZ-INIZCTEOSA-N 2 2 303.450 2.808 10 0 DFAELP Cc1ccc2c(C[N@H+]3CC[C@H](C)C[C@H]3C[NH3+])cc(=O)oc2c1 ZINC000262551231 146370458 /nfs/dbraw/zinc/37/04/58/146370458.db2.gz SLBURQLQQDOJTC-ZFWWWQNUSA-N 2 2 300.402 2.661 10 0 DFAELP Cc1ccc2c(C[N@@H+]3CC[C@H](C)C[C@H]3C[NH3+])cc(=O)oc2c1 ZINC000262551231 146370460 /nfs/dbraw/zinc/37/04/60/146370460.db2.gz SLBURQLQQDOJTC-ZFWWWQNUSA-N 2 2 300.402 2.661 10 0 DFAELP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000253560676 427216823 /nfs/dbraw/zinc/21/68/23/427216823.db2.gz BBWLBNDXTFGBQC-JKSUJKDBSA-N 2 2 319.449 2.676 10 0 DFAELP CC[N@H+](CCOC)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021379 183329346 /nfs/dbraw/zinc/32/93/46/183329346.db2.gz YMLJQZKDHRFERD-BXUZGUMPSA-N 2 2 315.255 2.806 10 0 DFAELP CC[N@@H+](CCOC)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021379 183329347 /nfs/dbraw/zinc/32/93/47/183329347.db2.gz YMLJQZKDHRFERD-BXUZGUMPSA-N 2 2 315.255 2.806 10 0 DFAELP CC(C)[N@H+](CCO)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021710 183329729 /nfs/dbraw/zinc/32/97/29/183329729.db2.gz WQGMKOQESVDFGY-BXUZGUMPSA-N 2 2 315.255 2.540 10 0 DFAELP CC(C)[N@@H+](CCO)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021710 183329731 /nfs/dbraw/zinc/32/97/31/183329731.db2.gz WQGMKOQESVDFGY-BXUZGUMPSA-N 2 2 315.255 2.540 10 0 DFAELP C[C@@H]([NH3+])Cc1ccc(OCCn2cc[nH+]c2)c(Br)c1 ZINC000062703984 184248780 /nfs/dbraw/zinc/24/87/80/184248780.db2.gz XMGRBWXUOOWBJG-LLVKDONJSA-N 2 2 324.222 2.614 10 0 DFAELP c1cc2c(nc[nH+]c2NCC[N@@H+]2CC[C@@H](c3ccccc3)C2)[nH]1 ZINC000065370440 184329540 /nfs/dbraw/zinc/32/95/40/184329540.db2.gz PILHEGIGZARFBQ-OAHLLOKOSA-N 2 2 307.401 2.859 10 0 DFAELP c1cc2c(nc[nH+]c2NCC[N@H+]2CC[C@@H](c3ccccc3)C2)[nH]1 ZINC000065370440 184329541 /nfs/dbraw/zinc/32/95/41/184329541.db2.gz PILHEGIGZARFBQ-OAHLLOKOSA-N 2 2 307.401 2.859 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)CC1 ZINC000616629625 399491408 /nfs/dbraw/zinc/49/14/08/399491408.db2.gz SNIHBVCMZZFGJJ-ZDUSSCGKSA-N 2 2 308.426 2.504 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)CC1 ZINC000616629625 399491410 /nfs/dbraw/zinc/49/14/10/399491410.db2.gz SNIHBVCMZZFGJJ-ZDUSSCGKSA-N 2 2 308.426 2.504 10 0 DFAELP C[C@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(Cl)cc1 ZINC000261605044 146245130 /nfs/dbraw/zinc/24/51/30/146245130.db2.gz AZILONPMWSALIH-WFASDCNBSA-N 2 2 323.868 2.576 10 0 DFAELP C[C@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(Cl)cc1 ZINC000261605044 146245132 /nfs/dbraw/zinc/24/51/32/146245132.db2.gz AZILONPMWSALIH-WFASDCNBSA-N 2 2 323.868 2.576 10 0 DFAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261645172 146252504 /nfs/dbraw/zinc/25/25/04/146252504.db2.gz DWFBSHVIDPYCTH-HZPDHXFCSA-N 2 2 317.477 2.998 10 0 DFAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261645172 146252505 /nfs/dbraw/zinc/25/25/05/146252505.db2.gz DWFBSHVIDPYCTH-HZPDHXFCSA-N 2 2 317.477 2.998 10 0 DFAELP [NH3+][C@@H]1CCC[C@H](CNc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000261650294 146253755 /nfs/dbraw/zinc/25/37/55/146253755.db2.gz JOMZCAZDWDLPLO-UONOGXRCSA-N 2 2 322.416 2.745 10 0 DFAELP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(C(F)(F)F)s3)C[C@H]21 ZINC000261654223 146255079 /nfs/dbraw/zinc/25/50/79/146255079.db2.gz BGJVFDHHDLQWQX-JMJZKYOTSA-N 2 2 305.369 2.721 10 0 DFAELP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(C(F)(F)F)s3)C[C@H]21 ZINC000261654223 146255082 /nfs/dbraw/zinc/25/50/82/146255082.db2.gz BGJVFDHHDLQWQX-JMJZKYOTSA-N 2 2 305.369 2.721 10 0 DFAELP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261656511 146255567 /nfs/dbraw/zinc/25/55/67/146255567.db2.gz HWLILLZBJJQNTK-SWLSCSKDSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261656511 146255570 /nfs/dbraw/zinc/25/55/70/146255570.db2.gz HWLILLZBJJQNTK-SWLSCSKDSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261667421 146256684 /nfs/dbraw/zinc/25/66/84/146256684.db2.gz IVFRSSUMMCWLSC-HOCLYGCPSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261667421 146256688 /nfs/dbraw/zinc/25/66/88/146256688.db2.gz IVFRSSUMMCWLSC-HOCLYGCPSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261733314 146268313 /nfs/dbraw/zinc/26/83/13/146268313.db2.gz JZTKOPCQSCENBC-LSDHHAIUSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261733314 146268315 /nfs/dbraw/zinc/26/83/15/146268315.db2.gz JZTKOPCQSCENBC-LSDHHAIUSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1C ZINC000261804633 146279992 /nfs/dbraw/zinc/27/99/92/146279992.db2.gz WCQDIXQCZABZHI-DOTOQJQBSA-N 2 2 317.477 2.540 10 0 DFAELP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1C ZINC000261804633 146279994 /nfs/dbraw/zinc/27/99/94/146279994.db2.gz WCQDIXQCZABZHI-DOTOQJQBSA-N 2 2 317.477 2.540 10 0 DFAELP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261872803 146293363 /nfs/dbraw/zinc/29/33/63/146293363.db2.gz TWFMECSZSFXNGG-INIZCTEOSA-N 2 2 317.477 2.982 10 0 DFAELP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261872803 146293368 /nfs/dbraw/zinc/29/33/68/146293368.db2.gz TWFMECSZSFXNGG-INIZCTEOSA-N 2 2 317.477 2.982 10 0 DFAELP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)s2)o1 ZINC000262111015 146334495 /nfs/dbraw/zinc/33/44/95/146334495.db2.gz WLOARMQOMJDJOI-MRXNPFEDSA-N 2 2 303.431 2.897 10 0 DFAELP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)s2)o1 ZINC000262111015 146334496 /nfs/dbraw/zinc/33/44/96/146334496.db2.gz WLOARMQOMJDJOI-MRXNPFEDSA-N 2 2 303.431 2.897 10 0 DFAELP CC1(C)C[N@H+](CCOc2ccc(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000262150127 146338758 /nfs/dbraw/zinc/33/87/58/146338758.db2.gz RCIKAPMLIRGOGJ-AWEZNQCLSA-N 2 2 300.805 2.917 10 0 DFAELP CC1(C)C[N@@H+](CCOc2ccc(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000262150127 146338760 /nfs/dbraw/zinc/33/87/60/146338760.db2.gz RCIKAPMLIRGOGJ-AWEZNQCLSA-N 2 2 300.805 2.917 10 0 DFAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261843660 279081158 /nfs/dbraw/zinc/08/11/58/279081158.db2.gz QTQQBEXNTHJVDR-IRXDYDNUSA-N 2 2 317.477 2.655 10 0 DFAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261843660 279081159 /nfs/dbraw/zinc/08/11/59/279081159.db2.gz QTQQBEXNTHJVDR-IRXDYDNUSA-N 2 2 317.477 2.655 10 0 DFAELP COc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(C)[nH+]2)cc1 ZINC000070456005 523197596 /nfs/dbraw/zinc/19/75/96/523197596.db2.gz ICPXISUVWCZBMP-UHFFFAOYSA-N 2 2 312.417 2.872 10 0 DFAELP COc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(C)[nH+]2)cc1 ZINC000070456241 190896760 /nfs/dbraw/zinc/89/67/60/190896760.db2.gz JEMKBXGKQVBIDI-CQSZACIVSA-N 2 2 312.417 2.872 10 0 DFAELP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000182102361 199387415 /nfs/dbraw/zinc/38/74/15/199387415.db2.gz RVIPJCBQVKIZPO-HZMBPMFUSA-N 2 2 306.797 2.838 10 0 DFAELP NC(=[NH2+])CC[N@H+](Cc1ccc(Br)cc1F)C1CC1 ZINC000042548109 183282634 /nfs/dbraw/zinc/28/26/34/183282634.db2.gz XAYUGYXTHUADKE-UHFFFAOYSA-N 2 2 314.202 2.879 10 0 DFAELP NC(=[NH2+])CC[N@@H+](Cc1ccc(Br)cc1F)C1CC1 ZINC000042548109 183282635 /nfs/dbraw/zinc/28/26/35/183282635.db2.gz XAYUGYXTHUADKE-UHFFFAOYSA-N 2 2 314.202 2.879 10 0 DFAELP CCC[N@H+](CCO)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021223 183330143 /nfs/dbraw/zinc/33/01/43/183330143.db2.gz HMZMDLOCKADANA-RISCZKNCSA-N 2 2 315.255 2.542 10 0 DFAELP CCC[N@@H+](CCO)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021223 183330145 /nfs/dbraw/zinc/33/01/45/183330145.db2.gz HMZMDLOCKADANA-RISCZKNCSA-N 2 2 315.255 2.542 10 0 DFAELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(F)cc1Br ZINC000062802816 184253682 /nfs/dbraw/zinc/25/36/82/184253682.db2.gz AHDFYBYAYGVJAZ-SECBINFHSA-N 2 2 312.186 2.723 10 0 DFAELP CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CC[N@H+](CC[NH3+])C1 ZINC000616612040 399489102 /nfs/dbraw/zinc/48/91/02/399489102.db2.gz KTJHNDMGGFHSQY-ZDUSSCGKSA-N 2 2 305.422 2.782 10 0 DFAELP CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000616612040 399489105 /nfs/dbraw/zinc/48/91/05/399489105.db2.gz KTJHNDMGGFHSQY-ZDUSSCGKSA-N 2 2 305.422 2.782 10 0 DFAELP CC(C)(C)OC(=O)Nc1ccc([C@@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616614818 399490248 /nfs/dbraw/zinc/49/02/48/399490248.db2.gz WAWWKSILUAAVCD-CQSZACIVSA-N 2 2 305.422 2.782 10 0 DFAELP CC(C)(C)OC(=O)Nc1ccc([C@@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616614818 399490252 /nfs/dbraw/zinc/49/02/52/399490252.db2.gz WAWWKSILUAAVCD-CQSZACIVSA-N 2 2 305.422 2.782 10 0 DFAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1cccc2ccnnc21 ZINC000616679898 399497623 /nfs/dbraw/zinc/49/76/23/399497623.db2.gz HMEIWBGSWUTYEA-IBGZPJMESA-N 2 2 304.397 2.536 10 0 DFAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1cccc2ccnnc21 ZINC000616679898 399497628 /nfs/dbraw/zinc/49/76/28/399497628.db2.gz HMEIWBGSWUTYEA-IBGZPJMESA-N 2 2 304.397 2.536 10 0 DFAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1cccc2nnccc21 ZINC000616681032 399498475 /nfs/dbraw/zinc/49/84/75/399498475.db2.gz UBKKXKMGRSOARD-IBGZPJMESA-N 2 2 304.397 2.536 10 0 DFAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1cccc2nnccc21 ZINC000616681032 399498476 /nfs/dbraw/zinc/49/84/76/399498476.db2.gz UBKKXKMGRSOARD-IBGZPJMESA-N 2 2 304.397 2.536 10 0 DFAELP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(Cl)cc1 ZINC000261605042 146244888 /nfs/dbraw/zinc/24/48/88/146244888.db2.gz AZILONPMWSALIH-SWLSCSKDSA-N 2 2 323.868 2.576 10 0 DFAELP C[C@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(Cl)cc1 ZINC000261605042 146244893 /nfs/dbraw/zinc/24/48/93/146244893.db2.gz AZILONPMWSALIH-SWLSCSKDSA-N 2 2 323.868 2.576 10 0 DFAELP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261639337 146251289 /nfs/dbraw/zinc/25/12/89/146251289.db2.gz GEGRNNKWMNJYSD-SWLSCSKDSA-N 2 2 321.490 2.795 10 0 DFAELP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261639337 146251294 /nfs/dbraw/zinc/25/12/94/146251294.db2.gz GEGRNNKWMNJYSD-SWLSCSKDSA-N 2 2 321.490 2.795 10 0 DFAELP [NH3+][C@H]1CCC[C@@H](CNc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000261650290 146253964 /nfs/dbraw/zinc/25/39/64/146253964.db2.gz JOMZCAZDWDLPLO-KGLIPLIRSA-N 2 2 322.416 2.745 10 0 DFAELP CC1(C)C[N@H+](Cc2c(F)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000261676531 146258102 /nfs/dbraw/zinc/25/81/02/146258102.db2.gz JQILUEAWZOTYEC-QGZVFWFLSA-N 2 2 305.441 2.985 10 0 DFAELP CC1(C)C[N@@H+](Cc2c(F)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000261676531 146258106 /nfs/dbraw/zinc/25/81/06/146258106.db2.gz JQILUEAWZOTYEC-QGZVFWFLSA-N 2 2 305.441 2.985 10 0 DFAELP Cc1ccc2c(C[N@H+]3CC[C@@H](C)C[C@@H]3C[NH3+])cc(=O)oc2c1 ZINC000262551230 146370787 /nfs/dbraw/zinc/37/07/87/146370787.db2.gz SLBURQLQQDOJTC-UKRRQHHQSA-N 2 2 300.402 2.661 10 0 DFAELP Cc1ccc2c(C[N@@H+]3CC[C@@H](C)C[C@@H]3C[NH3+])cc(=O)oc2c1 ZINC000262551230 146370790 /nfs/dbraw/zinc/37/07/90/146370790.db2.gz SLBURQLQQDOJTC-UKRRQHHQSA-N 2 2 300.402 2.661 10 0 DFAELP COC[C@@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)[N@@H+]1C ZINC000096215342 274045488 /nfs/dbraw/zinc/04/54/88/274045488.db2.gz CPABJNVKQMGYSL-INIZCTEOSA-N 2 2 306.425 2.901 10 0 DFAELP COC[C@@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)[N@H+]1C ZINC000096215342 274045489 /nfs/dbraw/zinc/04/54/89/274045489.db2.gz CPABJNVKQMGYSL-INIZCTEOSA-N 2 2 306.425 2.901 10 0 DFAELP Brc1cccc(NCC[NH2+][C@H]2C[NH+]3CCC2CC3)c1 ZINC000039176518 398557758 /nfs/dbraw/zinc/55/77/58/398557758.db2.gz YFLBLQDXXMMPEC-HNNXBMFYSA-N 2 2 324.266 2.545 10 0 DFAELP CC[N@H+](CCC(N)=[NH2+])Cc1cc(Br)ccc1F ZINC000042452921 183272060 /nfs/dbraw/zinc/27/20/60/183272060.db2.gz PGSOFYFOHWVWTH-UHFFFAOYSA-N 2 2 302.191 2.736 10 0 DFAELP CC[N@@H+](CCC(N)=[NH2+])Cc1cc(Br)ccc1F ZINC000042452921 183272064 /nfs/dbraw/zinc/27/20/64/183272064.db2.gz PGSOFYFOHWVWTH-UHFFFAOYSA-N 2 2 302.191 2.736 10 0 DFAELP C[C@@H](C[N@H+](C)Cc1cc(Br)ccc1F)C(N)=[NH2+] ZINC000042459547 183272951 /nfs/dbraw/zinc/27/29/51/183272951.db2.gz NJHRWCIVEBCGLT-QMMMGPOBSA-N 2 2 302.191 2.592 10 0 DFAELP C[C@@H](C[N@@H+](C)Cc1cc(Br)ccc1F)C(N)=[NH2+] ZINC000042459547 183272953 /nfs/dbraw/zinc/27/29/53/183272953.db2.gz NJHRWCIVEBCGLT-QMMMGPOBSA-N 2 2 302.191 2.592 10 0 DFAELP CCC[N@H+](CCO)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954336 183321808 /nfs/dbraw/zinc/32/18/08/183321808.db2.gz WIESZZICJPFQRW-RISCZKNCSA-N 2 2 315.255 2.542 10 0 DFAELP CCC[N@@H+](CCO)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954336 183321813 /nfs/dbraw/zinc/32/18/13/183321813.db2.gz WIESZZICJPFQRW-RISCZKNCSA-N 2 2 315.255 2.542 10 0 DFAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)CCOC ZINC000043021245 183329499 /nfs/dbraw/zinc/32/94/99/183329499.db2.gz PAAHNMWQDVIFKB-KBPBESRZSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)CCOC ZINC000043021245 183329500 /nfs/dbraw/zinc/32/95/00/183329500.db2.gz PAAHNMWQDVIFKB-KBPBESRZSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](CC)CCO ZINC000043021024 183329894 /nfs/dbraw/zinc/32/98/94/183329894.db2.gz FMYCXPSDYSMTTF-KGLIPLIRSA-N 2 2 315.255 2.542 10 0 DFAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](CC)CCO ZINC000043021024 183329897 /nfs/dbraw/zinc/32/98/97/183329897.db2.gz FMYCXPSDYSMTTF-KGLIPLIRSA-N 2 2 315.255 2.542 10 0 DFAELP Cc1ccc[nH+]c1C[C@H](C)Nc1nc(CC[NH3+])nc2ccccc21 ZINC000065387448 184333975 /nfs/dbraw/zinc/33/39/75/184333975.db2.gz IXDIIWKXPQOVIM-AWEZNQCLSA-N 2 2 321.428 2.878 10 0 DFAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261863878 146290597 /nfs/dbraw/zinc/29/05/97/146290597.db2.gz SLHOTOKWCAGUOL-RISCZKNCSA-N 2 2 309.841 2.726 10 0 DFAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261863878 146290600 /nfs/dbraw/zinc/29/06/00/146290600.db2.gz SLHOTOKWCAGUOL-RISCZKNCSA-N 2 2 309.841 2.726 10 0 DFAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261871348 146291660 /nfs/dbraw/zinc/29/16/60/146291660.db2.gz SZRRXXKXIZJOMT-OAHLLOKOSA-N 2 2 304.413 2.755 10 0 DFAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261871348 146291663 /nfs/dbraw/zinc/29/16/63/146291663.db2.gz SZRRXXKXIZJOMT-OAHLLOKOSA-N 2 2 304.413 2.755 10 0 DFAELP C[N@H+](Cc1cnc(C(F)(F)F)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262021895 146324072 /nfs/dbraw/zinc/32/40/72/146324072.db2.gz WEHWMOUFABAXCN-ULKQDVFKSA-N 2 2 305.369 2.877 10 0 DFAELP C[N@@H+](Cc1cnc(C(F)(F)F)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262021895 146324075 /nfs/dbraw/zinc/32/40/75/146324075.db2.gz WEHWMOUFABAXCN-ULKQDVFKSA-N 2 2 305.369 2.877 10 0 DFAELP C[C@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1Cl ZINC000262399950 146357063 /nfs/dbraw/zinc/35/70/63/146357063.db2.gz CDVWEICGRMXHNU-WFASDCNBSA-N 2 2 323.868 2.576 10 0 DFAELP C[C@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1Cl ZINC000262399950 146357066 /nfs/dbraw/zinc/35/70/66/146357066.db2.gz CDVWEICGRMXHNU-WFASDCNBSA-N 2 2 323.868 2.576 10 0 DFAELP COc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(C)[nH+]2)cc1 ZINC000070456242 523195761 /nfs/dbraw/zinc/19/57/61/523195761.db2.gz JEMKBXGKQVBIDI-AWEZNQCLSA-N 2 2 312.417 2.872 10 0 DFAELP CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262561453 535864187 /nfs/dbraw/zinc/86/41/87/535864187.db2.gz VOLLHAOKWYGVHF-HNNXBMFYSA-N 2 2 303.450 2.555 10 0 DFAELP CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262561453 535864194 /nfs/dbraw/zinc/86/41/94/535864194.db2.gz VOLLHAOKWYGVHF-HNNXBMFYSA-N 2 2 303.450 2.555 10 0 DFAELP C[NH+](C)[C@H](C[NH3+])c1ccc(Br)c(Br)c1 ZINC000234251997 398359647 /nfs/dbraw/zinc/35/96/47/398359647.db2.gz KTRZZDJXAXITMQ-SNVBAGLBSA-N 2 2 322.044 2.773 10 0 DFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000039789178 183021774 /nfs/dbraw/zinc/02/17/74/183021774.db2.gz RENGOOZMYPONRS-CQSZACIVSA-N 2 2 310.438 2.834 10 0 DFAELP CC[N@H+](CCOC)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021380 183329984 /nfs/dbraw/zinc/32/99/84/183329984.db2.gz YMLJQZKDHRFERD-RISCZKNCSA-N 2 2 315.255 2.806 10 0 DFAELP CC[N@@H+](CCOC)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021380 183329986 /nfs/dbraw/zinc/32/99/86/183329986.db2.gz YMLJQZKDHRFERD-RISCZKNCSA-N 2 2 315.255 2.806 10 0 DFAELP C[C@H](c1ccc(F)c(Br)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000061689609 184183062 /nfs/dbraw/zinc/18/30/62/184183062.db2.gz GDUCSMBXQGMISF-NXEZZACHSA-N 2 2 301.203 2.930 10 0 DFAELP C[C@H](c1ccc(F)c(Br)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000061689609 184183063 /nfs/dbraw/zinc/18/30/63/184183063.db2.gz GDUCSMBXQGMISF-NXEZZACHSA-N 2 2 301.203 2.930 10 0 DFAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc2ccnnc21 ZINC000616691654 399499669 /nfs/dbraw/zinc/49/96/69/399499669.db2.gz HMEIWBGSWUTYEA-LJQANCHMSA-N 2 2 304.397 2.536 10 0 DFAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1cccc2ccnnc21 ZINC000616691654 399499670 /nfs/dbraw/zinc/49/96/70/399499670.db2.gz HMEIWBGSWUTYEA-LJQANCHMSA-N 2 2 304.397 2.536 10 0 DFAELP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261639341 146250794 /nfs/dbraw/zinc/25/07/94/146250794.db2.gz GEGRNNKWMNJYSD-WFASDCNBSA-N 2 2 321.490 2.795 10 0 DFAELP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261639341 146250798 /nfs/dbraw/zinc/25/07/98/146250798.db2.gz GEGRNNKWMNJYSD-WFASDCNBSA-N 2 2 321.490 2.795 10 0 DFAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261645165 146252213 /nfs/dbraw/zinc/25/22/13/146252213.db2.gz DWFBSHVIDPYCTH-CVEARBPZSA-N 2 2 317.477 2.998 10 0 DFAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261645165 146252215 /nfs/dbraw/zinc/25/22/15/146252215.db2.gz DWFBSHVIDPYCTH-CVEARBPZSA-N 2 2 317.477 2.998 10 0 DFAELP COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261654163 146255674 /nfs/dbraw/zinc/25/56/74/146255674.db2.gz HQTXEKORMZUUJV-AWEZNQCLSA-N 2 2 314.376 2.856 10 0 DFAELP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261654163 146255675 /nfs/dbraw/zinc/25/56/75/146255675.db2.gz HQTXEKORMZUUJV-AWEZNQCLSA-N 2 2 314.376 2.856 10 0 DFAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1F ZINC000261667242 146256641 /nfs/dbraw/zinc/25/66/41/146256641.db2.gz ISTRZSOAGRNMBM-SWLSCSKDSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1F ZINC000261667242 146256643 /nfs/dbraw/zinc/25/66/43/146256643.db2.gz ISTRZSOAGRNMBM-SWLSCSKDSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1F ZINC000261667240 146256865 /nfs/dbraw/zinc/25/68/65/146256865.db2.gz ISTRZSOAGRNMBM-IUODEOHRSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1F ZINC000261667240 146256868 /nfs/dbraw/zinc/25/68/68/146256868.db2.gz ISTRZSOAGRNMBM-IUODEOHRSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000261804636 146280468 /nfs/dbraw/zinc/28/04/68/146280468.db2.gz WCQDIXQCZABZHI-RDJZCZTQSA-N 2 2 317.477 2.540 10 0 DFAELP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000261804636 146280471 /nfs/dbraw/zinc/28/04/71/146280471.db2.gz WCQDIXQCZABZHI-RDJZCZTQSA-N 2 2 317.477 2.540 10 0 DFAELP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261841712 146287673 /nfs/dbraw/zinc/28/76/73/146287673.db2.gz ZWSXMYCVCQWFRA-CQSZACIVSA-N 2 2 306.841 2.786 10 0 DFAELP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261841712 146287675 /nfs/dbraw/zinc/28/76/75/146287675.db2.gz ZWSXMYCVCQWFRA-CQSZACIVSA-N 2 2 306.841 2.786 10 0 DFAELP Cc1ccc(Cl)cc1N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261880856 146294422 /nfs/dbraw/zinc/29/44/22/146294422.db2.gz QYYQIURXFMJJHQ-QGZVFWFLSA-N 2 2 307.869 2.770 10 0 DFAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000262524995 146367859 /nfs/dbraw/zinc/36/78/59/146367859.db2.gz OSFFOAHTDSXZNC-MRXNPFEDSA-N 2 2 303.450 2.808 10 0 DFAELP CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000262524995 146367860 /nfs/dbraw/zinc/36/78/60/146367860.db2.gz OSFFOAHTDSXZNC-MRXNPFEDSA-N 2 2 303.450 2.808 10 0 DFAELP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261822857 535082245 /nfs/dbraw/zinc/08/22/45/535082245.db2.gz PNUQARVOKLZYTJ-AEFFLSMTSA-N 2 2 317.477 2.559 10 0 DFAELP CC(C)[C@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261822857 535082250 /nfs/dbraw/zinc/08/22/50/535082250.db2.gz PNUQARVOKLZYTJ-AEFFLSMTSA-N 2 2 317.477 2.559 10 0 DFAELP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261845424 536188952 /nfs/dbraw/zinc/18/89/52/536188952.db2.gz QYRLICBWRFOAMQ-CZUORRHYSA-N 2 2 303.450 2.635 10 0 DFAELP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261845424 536188953 /nfs/dbraw/zinc/18/89/53/536188953.db2.gz QYRLICBWRFOAMQ-CZUORRHYSA-N 2 2 303.450 2.635 10 0 DFAELP COc1ccc2nc(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)sc2c1 ZINC000261747668 537051632 /nfs/dbraw/zinc/05/16/32/537051632.db2.gz CAJIHRFNTXWTIP-CQSZACIVSA-N 2 2 305.447 2.864 10 0 DFAELP COc1ccc2nc(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)sc2c1 ZINC000261747668 537051636 /nfs/dbraw/zinc/05/16/36/537051636.db2.gz CAJIHRFNTXWTIP-CQSZACIVSA-N 2 2 305.447 2.864 10 0 DFAELP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000182102401 199387687 /nfs/dbraw/zinc/38/76/87/199387687.db2.gz RVIPJCBQVKIZPO-IINYFYTJSA-N 2 2 306.797 2.838 10 0 DFAELP CCc1[nH+]c(-c2ccc(OC)cc2)nc(N2CC[C@@H]([NH3+])C2)c1C ZINC000073683981 191341825 /nfs/dbraw/zinc/34/18/25/191341825.db2.gz NPDUTQXMQNWGOR-CQSZACIVSA-N 2 2 312.417 2.560 10 0 DFAELP C[C@H]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[NH2+]1 ZINC000262325477 203262399 /nfs/dbraw/zinc/26/23/99/203262399.db2.gz DFWQJNQEDJSUPO-RYUDHWBXSA-N 2 2 318.808 2.852 10 0 DFAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](CC)CCO ZINC000042953996 183321179 /nfs/dbraw/zinc/32/11/79/183321179.db2.gz IYCGPBBTAOEEOD-KBPBESRZSA-N 2 2 315.255 2.542 10 0 DFAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](CC)CCO ZINC000042953996 183321181 /nfs/dbraw/zinc/32/11/81/183321181.db2.gz IYCGPBBTAOEEOD-KBPBESRZSA-N 2 2 315.255 2.542 10 0 DFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](C)CCOC ZINC000042954378 183321303 /nfs/dbraw/zinc/32/13/03/183321303.db2.gz FUSCLSMRVZCVJL-ZIAGYGMSSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCOC ZINC000042954378 183321306 /nfs/dbraw/zinc/32/13/06/183321306.db2.gz FUSCLSMRVZCVJL-ZIAGYGMSSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](C)CCOC ZINC000042954381 183322269 /nfs/dbraw/zinc/32/22/69/183322269.db2.gz FUSCLSMRVZCVJL-KBPBESRZSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](C)CCOC ZINC000042954381 183322272 /nfs/dbraw/zinc/32/22/72/183322272.db2.gz FUSCLSMRVZCVJL-KBPBESRZSA-N 2 2 315.255 2.806 10 0 DFAELP CC[NH+]1CCC([NH2+]Cc2ccc(O)c(Br)c2)CC1 ZINC000057943608 184063109 /nfs/dbraw/zinc/06/31/09/184063109.db2.gz MDWVEEDERNJLET-UHFFFAOYSA-N 2 2 313.239 2.729 10 0 DFAELP c1csc(CC[NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000063133966 184272579 /nfs/dbraw/zinc/27/25/79/184272579.db2.gz HWEFHXGYYPLYBX-MRXNPFEDSA-N 2 2 301.459 2.592 10 0 DFAELP c1csc(CC[NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000063133966 184272581 /nfs/dbraw/zinc/27/25/81/184272581.db2.gz HWEFHXGYYPLYBX-MRXNPFEDSA-N 2 2 301.459 2.592 10 0 DFAELP CC(C)(C)OC(=O)Nc1ccc([C@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616613016 399490081 /nfs/dbraw/zinc/49/00/81/399490081.db2.gz WAWWKSILUAAVCD-AWEZNQCLSA-N 2 2 305.422 2.782 10 0 DFAELP CC(C)(C)OC(=O)Nc1ccc([C@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616613016 399490084 /nfs/dbraw/zinc/49/00/84/399490084.db2.gz WAWWKSILUAAVCD-AWEZNQCLSA-N 2 2 305.422 2.782 10 0 DFAELP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000261580404 146242861 /nfs/dbraw/zinc/24/28/61/146242861.db2.gz QALUUUJMDCAMQK-KBPBESRZSA-N 2 2 309.251 2.799 10 0 DFAELP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000261580404 146242863 /nfs/dbraw/zinc/24/28/63/146242863.db2.gz QALUUUJMDCAMQK-KBPBESRZSA-N 2 2 309.251 2.799 10 0 DFAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261667424 146256976 /nfs/dbraw/zinc/25/69/76/146256976.db2.gz IVFRSSUMMCWLSC-ZBFHGGJFSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261667424 146256979 /nfs/dbraw/zinc/25/69/79/146256979.db2.gz IVFRSSUMMCWLSC-ZBFHGGJFSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261829474 146284718 /nfs/dbraw/zinc/28/47/18/146284718.db2.gz PVRHWMPDVHQGKV-UXLLHSPISA-N 2 2 317.477 2.620 10 0 DFAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261829474 146284720 /nfs/dbraw/zinc/28/47/20/146284720.db2.gz PVRHWMPDVHQGKV-UXLLHSPISA-N 2 2 317.477 2.620 10 0 DFAELP COc1cc2c(c(C[N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)c1)O[C@@H](C)C2 ZINC000261645461 277390301 /nfs/dbraw/zinc/39/03/01/277390301.db2.gz GRUACHQDIOMPDZ-LRDDRELGSA-N 2 2 304.434 2.578 10 0 DFAELP COc1cc2c(c(C[N@H+]3CC[C@H]([NH3+])C(C)(C)C3)c1)O[C@@H](C)C2 ZINC000261645461 277390303 /nfs/dbraw/zinc/39/03/03/277390303.db2.gz GRUACHQDIOMPDZ-LRDDRELGSA-N 2 2 304.434 2.578 10 0 DFAELP [NH3+]C[C@H](Cc1ccc(F)cc1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000584620933 337374839 /nfs/dbraw/zinc/37/48/39/337374839.db2.gz VHFOJVXIXJGKDO-AWEZNQCLSA-N 2 2 304.331 2.970 10 0 DFAELP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(SC)cc1OC ZINC000261867026 536768979 /nfs/dbraw/zinc/76/89/79/536768979.db2.gz SPJSZYZDXKEMOR-INIZCTEOSA-N 2 2 324.490 2.985 10 0 DFAELP COc1cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(SC)cc1OC ZINC000261867026 536768983 /nfs/dbraw/zinc/76/89/83/536768983.db2.gz SPJSZYZDXKEMOR-INIZCTEOSA-N 2 2 324.490 2.985 10 0 DFAELP CCc1cc(N2CCC[NH2+]CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070451991 190895114 /nfs/dbraw/zinc/89/51/14/190895114.db2.gz OXPJQIMCLMNKBH-UHFFFAOYSA-N 2 2 300.381 2.645 10 0 DFAELP CCN(CC)c1[nH+]cnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040723207 183124859 /nfs/dbraw/zinc/12/48/59/183124859.db2.gz JKAJXLARKAZSEW-UHFFFAOYSA-N 2 2 320.485 2.626 10 0 DFAELP CC(C)[N@H+](CCO)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021712 183330088 /nfs/dbraw/zinc/33/00/88/183330088.db2.gz WQGMKOQESVDFGY-RISCZKNCSA-N 2 2 315.255 2.540 10 0 DFAELP CC(C)[N@@H+](CCO)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021712 183330090 /nfs/dbraw/zinc/33/00/90/183330090.db2.gz WQGMKOQESVDFGY-RISCZKNCSA-N 2 2 315.255 2.540 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](c2c[nH]c[nH+]2)C1 ZINC000616602749 399488889 /nfs/dbraw/zinc/48/88/89/399488889.db2.gz QNBYFZWTCLXYIK-ZDUSSCGKSA-N 2 2 308.426 2.504 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H](c2c[nH]c[nH+]2)C1 ZINC000616602749 399488892 /nfs/dbraw/zinc/48/88/92/399488892.db2.gz QNBYFZWTCLXYIK-ZDUSSCGKSA-N 2 2 308.426 2.504 10 0 DFAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc2nnccc21 ZINC000616693244 399500322 /nfs/dbraw/zinc/50/03/22/399500322.db2.gz UBKKXKMGRSOARD-LJQANCHMSA-N 2 2 304.397 2.536 10 0 DFAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1cccc2nnccc21 ZINC000616693244 399500324 /nfs/dbraw/zinc/50/03/24/399500324.db2.gz UBKKXKMGRSOARD-LJQANCHMSA-N 2 2 304.397 2.536 10 0 DFAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc2ccnnc2c1 ZINC000616691081 399499650 /nfs/dbraw/zinc/49/96/50/399499650.db2.gz GCMPVAQNKVBIDN-IBGZPJMESA-N 2 2 304.397 2.536 10 0 DFAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1ccc2ccnnc2c1 ZINC000616691081 399499653 /nfs/dbraw/zinc/49/96/53/399499653.db2.gz GCMPVAQNKVBIDN-IBGZPJMESA-N 2 2 304.397 2.536 10 0 DFAELP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000261594635 146243993 /nfs/dbraw/zinc/24/39/93/146243993.db2.gz AJIRNFPEKXZKIG-WFASDCNBSA-N 2 2 309.841 2.728 10 0 DFAELP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000261594635 146243995 /nfs/dbraw/zinc/24/39/95/146243995.db2.gz AJIRNFPEKXZKIG-WFASDCNBSA-N 2 2 309.841 2.728 10 0 DFAELP CCOc1c(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)nn1CC(C)C ZINC000261609244 146245671 /nfs/dbraw/zinc/24/56/71/146245671.db2.gz BSSMEPYHYLSPOZ-MRXNPFEDSA-N 2 2 322.497 2.805 10 0 DFAELP CCOc1c(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)nn1CC(C)C ZINC000261609244 146245674 /nfs/dbraw/zinc/24/56/74/146245674.db2.gz BSSMEPYHYLSPOZ-MRXNPFEDSA-N 2 2 322.497 2.805 10 0 DFAELP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(Cl)c1OC ZINC000261766698 146273111 /nfs/dbraw/zinc/27/31/11/146273111.db2.gz VOIYNZZYKDTDSI-CYBMUJFWSA-N 2 2 312.841 2.916 10 0 DFAELP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(Cl)c1OC ZINC000261766698 146273114 /nfs/dbraw/zinc/27/31/14/146273114.db2.gz VOIYNZZYKDTDSI-CYBMUJFWSA-N 2 2 312.841 2.916 10 0 DFAELP CC1(C)C[N@H+](CCOc2ccc(F)cc2Cl)CC[C@H]1[NH3+] ZINC000262150129 146338834 /nfs/dbraw/zinc/33/88/34/146338834.db2.gz RCIKAPMLIRGOGJ-CQSZACIVSA-N 2 2 300.805 2.917 10 0 DFAELP CC1(C)C[N@@H+](CCOc2ccc(F)cc2Cl)CC[C@H]1[NH3+] ZINC000262150129 146338837 /nfs/dbraw/zinc/33/88/37/146338837.db2.gz RCIKAPMLIRGOGJ-CQSZACIVSA-N 2 2 300.805 2.917 10 0 DFAELP CN(Cc1ccccc1)c1ncccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000012073651 425718033 /nfs/dbraw/zinc/71/80/33/425718033.db2.gz YVMUXIPVGVPUSR-UHFFFAOYSA-N 2 2 324.472 2.902 10 0 DFAELP CC(C)[N@@H+]1CCO[C@@H](c2noc([C@@H](C)[NH+]3CCCCCC3)n2)C1 ZINC000328601104 529051071 /nfs/dbraw/zinc/05/10/71/529051071.db2.gz DYGWPGMFEIIYIC-HUUCEWRRSA-N 2 2 322.453 2.788 10 0 DFAELP CC(C)[N@H+]1CCO[C@@H](c2noc([C@@H](C)[NH+]3CCCCCC3)n2)C1 ZINC000328601104 529051075 /nfs/dbraw/zinc/05/10/75/529051075.db2.gz DYGWPGMFEIIYIC-HUUCEWRRSA-N 2 2 322.453 2.788 10 0 DFAELP COc1cc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000039789190 183021558 /nfs/dbraw/zinc/02/15/58/183021558.db2.gz JZRYDXXDJKDWLZ-VNHYZAJKSA-N 2 2 322.449 2.690 10 0 DFAELP COc1cc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000039789190 183021562 /nfs/dbraw/zinc/02/15/62/183021562.db2.gz JZRYDXXDJKDWLZ-VNHYZAJKSA-N 2 2 322.449 2.690 10 0 DFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](CC)CCO ZINC000042953993 183321699 /nfs/dbraw/zinc/32/16/99/183321699.db2.gz IYCGPBBTAOEEOD-ZIAGYGMSSA-N 2 2 315.255 2.542 10 0 DFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](CC)CCO ZINC000042953993 183321701 /nfs/dbraw/zinc/32/17/01/183321701.db2.gz IYCGPBBTAOEEOD-ZIAGYGMSSA-N 2 2 315.255 2.542 10 0 DFAELP COC[C@H](C)[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021399 183329935 /nfs/dbraw/zinc/32/99/35/183329935.db2.gz OJNMMLWXENOCDW-MISXGVKJSA-N 2 2 315.255 2.804 10 0 DFAELP COC[C@H](C)[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021399 183329937 /nfs/dbraw/zinc/32/99/37/183329937.db2.gz OJNMMLWXENOCDW-MISXGVKJSA-N 2 2 315.255 2.804 10 0 DFAELP [NH3+]CCCCNc1nc(CCc2ccccc2)[nH+]c2c1CCC2 ZINC000057328910 184033530 /nfs/dbraw/zinc/03/35/30/184033530.db2.gz XIFMJHSKGGRZHS-UHFFFAOYSA-N 2 2 310.445 2.901 10 0 DFAELP COC[C@H]1C[N@H+](C)C[C@]12CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000253613018 257104530 /nfs/dbraw/zinc/10/45/30/257104530.db2.gz OIQYZXVHHRGNEC-WBVHZDCISA-N 2 2 308.853 2.740 10 0 DFAELP COC[C@H]1C[N@@H+](C)C[C@]12CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000253613018 257104531 /nfs/dbraw/zinc/10/45/31/257104531.db2.gz OIQYZXVHHRGNEC-WBVHZDCISA-N 2 2 308.853 2.740 10 0 DFAELP COC[C@H]1C[NH+](C)C[C@]12CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000253613018 257104533 /nfs/dbraw/zinc/10/45/33/257104533.db2.gz OIQYZXVHHRGNEC-WBVHZDCISA-N 2 2 308.853 2.740 10 0 DFAELP COC[C@H]1C[NH+](C)C[C@]12CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000253613018 257104534 /nfs/dbraw/zinc/10/45/34/257104534.db2.gz OIQYZXVHHRGNEC-WBVHZDCISA-N 2 2 308.853 2.740 10 0 DFAELP COC[C@H]1C[N@H+](C)C[C@]12CC[NH+](Cc1ccccc1Cl)C2 ZINC000253613024 257104862 /nfs/dbraw/zinc/10/48/62/257104862.db2.gz OOQICNUWUJLMAO-WBVHZDCISA-N 2 2 308.853 2.740 10 0 DFAELP COC[C@H]1C[N@@H+](C)C[C@]12CC[NH+](Cc1ccccc1Cl)C2 ZINC000253613024 257104864 /nfs/dbraw/zinc/10/48/64/257104864.db2.gz OOQICNUWUJLMAO-WBVHZDCISA-N 2 2 308.853 2.740 10 0 DFAELP COC[C@H]1C[NH+](C)C[C@]12CC[N@H+](Cc1ccccc1Cl)C2 ZINC000253613024 257104865 /nfs/dbraw/zinc/10/48/65/257104865.db2.gz OOQICNUWUJLMAO-WBVHZDCISA-N 2 2 308.853 2.740 10 0 DFAELP COC[C@H]1C[NH+](C)C[C@]12CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000253613024 257104867 /nfs/dbraw/zinc/10/48/67/257104867.db2.gz OOQICNUWUJLMAO-WBVHZDCISA-N 2 2 308.853 2.740 10 0 DFAELP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261603126 146243478 /nfs/dbraw/zinc/24/34/78/146243478.db2.gz ADYBTDBXUUGBDE-SJKOYZFVSA-N 2 2 318.396 2.531 10 0 DFAELP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261603126 146243482 /nfs/dbraw/zinc/24/34/82/146243482.db2.gz ADYBTDBXUUGBDE-SJKOYZFVSA-N 2 2 318.396 2.531 10 0 DFAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1C ZINC000261835996 146286177 /nfs/dbraw/zinc/28/61/77/146286177.db2.gz QFNCRGSIVUPNOV-GOEBONIOSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1C ZINC000261835996 146286180 /nfs/dbraw/zinc/28/61/80/146286180.db2.gz QFNCRGSIVUPNOV-GOEBONIOSA-N 2 2 303.450 2.690 10 0 DFAELP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261853344 146288787 /nfs/dbraw/zinc/28/87/87/146288787.db2.gz RREIYWHUWVWNOV-GXTWGEPZSA-N 2 2 300.406 2.857 10 0 DFAELP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261853344 146288790 /nfs/dbraw/zinc/28/87/90/146288790.db2.gz RREIYWHUWVWNOV-GXTWGEPZSA-N 2 2 300.406 2.857 10 0 DFAELP c1[nH]c2ccc(OCC[NH+]3CCN(c4ccccc4)CC3)cc2[nH+]1 ZINC000089195161 426282363 /nfs/dbraw/zinc/28/23/63/426282363.db2.gz HSBZQBNNDKGAAV-UHFFFAOYSA-N 2 2 322.412 2.764 10 0 DFAELP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262557527 535710323 /nfs/dbraw/zinc/71/03/23/535710323.db2.gz UOAFKYKDFIHUPH-QGZVFWFLSA-N 2 2 304.434 2.847 10 0 DFAELP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262557527 535710330 /nfs/dbraw/zinc/71/03/30/535710330.db2.gz UOAFKYKDFIHUPH-QGZVFWFLSA-N 2 2 304.434 2.847 10 0 DFAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261662878 535880266 /nfs/dbraw/zinc/88/02/66/535880266.db2.gz FUOPLIWKVSOATI-MRXNPFEDSA-N 2 2 317.477 2.809 10 0 DFAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261662878 535880269 /nfs/dbraw/zinc/88/02/69/535880269.db2.gz FUOPLIWKVSOATI-MRXNPFEDSA-N 2 2 317.477 2.809 10 0 DFAELP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261845422 536188688 /nfs/dbraw/zinc/18/86/88/536188688.db2.gz QYRLICBWRFOAMQ-CJNGLKHVSA-N 2 2 303.450 2.635 10 0 DFAELP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261845422 536188690 /nfs/dbraw/zinc/18/86/90/536188690.db2.gz QYRLICBWRFOAMQ-CJNGLKHVSA-N 2 2 303.450 2.635 10 0 DFAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000182102379 199387816 /nfs/dbraw/zinc/38/78/16/199387816.db2.gz RVIPJCBQVKIZPO-QMTHXVAHSA-N 2 2 306.797 2.838 10 0 DFAELP CCOc1cc([C@@H](C[NH3+])[NH+]2CCCC2)ccc1OC(F)F ZINC000020081539 182185171 /nfs/dbraw/zinc/18/51/71/182185171.db2.gz TWIOUZZJANHXGA-GFCCVEGCSA-N 2 2 300.349 2.782 10 0 DFAELP COc1cc([C@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc(OC)c1OC ZINC000039789184 183021821 /nfs/dbraw/zinc/02/18/21/183021821.db2.gz LGIZUWDSKFCNMR-GUTXKFCHSA-N 2 2 322.449 2.975 10 0 DFAELP COc1cc([C@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc(OC)c1OC ZINC000039789184 183021823 /nfs/dbraw/zinc/02/18/23/183021823.db2.gz LGIZUWDSKFCNMR-GUTXKFCHSA-N 2 2 322.449 2.975 10 0 DFAELP COc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1Br ZINC000042428509 183269600 /nfs/dbraw/zinc/26/96/00/183269600.db2.gz NOMMLJCLBKZPSO-UHFFFAOYSA-N 2 2 301.228 2.627 10 0 DFAELP COc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1Br ZINC000042428509 183269603 /nfs/dbraw/zinc/26/96/03/183269603.db2.gz NOMMLJCLBKZPSO-UHFFFAOYSA-N 2 2 301.228 2.627 10 0 DFAELP CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](C)C(N)=[NH2+] ZINC000042446232 183271784 /nfs/dbraw/zinc/27/17/84/183271784.db2.gz ADZMFUHMROBSDN-SECBINFHSA-N 2 2 316.218 2.982 10 0 DFAELP CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H](C)C(N)=[NH2+] ZINC000042446232 183271786 /nfs/dbraw/zinc/27/17/86/183271786.db2.gz ADZMFUHMROBSDN-SECBINFHSA-N 2 2 316.218 2.982 10 0 DFAELP CC(C)[N@H+]1Cc2cc(C(=O)NCC[NH+]3CCCCC3)sc2C1 ZINC000065239034 184316859 /nfs/dbraw/zinc/31/68/59/184316859.db2.gz PYUVISACUICHJQ-UHFFFAOYSA-N 2 2 321.490 2.688 10 0 DFAELP CC(C)[N@@H+]1Cc2cc(C(=O)NCC[NH+]3CCCCC3)sc2C1 ZINC000065239034 184316860 /nfs/dbraw/zinc/31/68/60/184316860.db2.gz PYUVISACUICHJQ-UHFFFAOYSA-N 2 2 321.490 2.688 10 0 DFAELP c1cc2c(nc[nH+]c2NCC[N@@H+]2CC[C@H](c3ccccc3)C2)[nH]1 ZINC000065370441 184329375 /nfs/dbraw/zinc/32/93/75/184329375.db2.gz PILHEGIGZARFBQ-HNNXBMFYSA-N 2 2 307.401 2.859 10 0 DFAELP c1cc2c(nc[nH+]c2NCC[N@H+]2CC[C@H](c3ccccc3)C2)[nH]1 ZINC000065370441 184329376 /nfs/dbraw/zinc/32/93/76/184329376.db2.gz PILHEGIGZARFBQ-HNNXBMFYSA-N 2 2 307.401 2.859 10 0 DFAELP CC(C)C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000120865683 195253651 /nfs/dbraw/zinc/25/36/51/195253651.db2.gz IQWYVBLHMKJQPY-UHFFFAOYSA-N 2 2 303.494 2.830 10 0 DFAELP COC[C@@H]1C[N@H+](C)C[C@]12CC[NH+](Cc1ccccc1Cl)C2 ZINC000253613023 257104386 /nfs/dbraw/zinc/10/43/86/257104386.db2.gz OOQICNUWUJLMAO-RDJZCZTQSA-N 2 2 308.853 2.740 10 0 DFAELP COC[C@@H]1C[N@@H+](C)C[C@]12CC[NH+](Cc1ccccc1Cl)C2 ZINC000253613023 257104387 /nfs/dbraw/zinc/10/43/87/257104387.db2.gz OOQICNUWUJLMAO-RDJZCZTQSA-N 2 2 308.853 2.740 10 0 DFAELP COC[C@@H]1C[NH+](C)C[C@]12CC[N@H+](Cc1ccccc1Cl)C2 ZINC000253613023 257104388 /nfs/dbraw/zinc/10/43/88/257104388.db2.gz OOQICNUWUJLMAO-RDJZCZTQSA-N 2 2 308.853 2.740 10 0 DFAELP COC[C@@H]1C[NH+](C)C[C@]12CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000253613023 257104389 /nfs/dbraw/zinc/10/43/89/257104389.db2.gz OOQICNUWUJLMAO-RDJZCZTQSA-N 2 2 308.853 2.740 10 0 DFAELP Cc1[nH+]c2ccccn2c1CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261613459 146247539 /nfs/dbraw/zinc/24/75/39/146247539.db2.gz CFDHIPWZHGMAFB-QGZVFWFLSA-N 2 2 324.403 2.928 10 0 DFAELP CC1(C)C[N@H+](Cc2ccnn2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000261778108 146274748 /nfs/dbraw/zinc/27/47/48/146274748.db2.gz FGZBOQXPVJAMNY-INIZCTEOSA-N 2 2 302.397 2.571 10 0 DFAELP CC1(C)C[N@@H+](Cc2ccnn2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000261778108 146274752 /nfs/dbraw/zinc/27/47/52/146274752.db2.gz FGZBOQXPVJAMNY-INIZCTEOSA-N 2 2 302.397 2.571 10 0 DFAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1Cl ZINC000261785942 146275751 /nfs/dbraw/zinc/27/57/51/146275751.db2.gz XJOAQCAAGLUMHN-AWEZNQCLSA-N 2 2 309.841 2.646 10 0 DFAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1Cl ZINC000261785942 146275754 /nfs/dbraw/zinc/27/57/54/146275754.db2.gz XJOAQCAAGLUMHN-AWEZNQCLSA-N 2 2 309.841 2.646 10 0 DFAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261824540 146282570 /nfs/dbraw/zinc/28/25/70/146282570.db2.gz YGNQYJXIBDVVAW-SMDDNHRTSA-N 2 2 309.841 2.726 10 0 DFAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261824540 146282573 /nfs/dbraw/zinc/28/25/73/146282573.db2.gz YGNQYJXIBDVVAW-SMDDNHRTSA-N 2 2 309.841 2.726 10 0 DFAELP CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@H]1[NH3+] ZINC000261905580 146298827 /nfs/dbraw/zinc/29/88/27/146298827.db2.gz WYSBXXGJLQWUEJ-HUUCEWRRSA-N 2 2 321.852 2.505 10 0 DFAELP CC1(C)C[N@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@H]1[NH3+] ZINC000261905580 146298829 /nfs/dbraw/zinc/29/88/29/146298829.db2.gz WYSBXXGJLQWUEJ-HUUCEWRRSA-N 2 2 321.852 2.505 10 0 DFAELP CC1(C)C[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)CC[C@H]1[NH3+] ZINC000262556024 146371952 /nfs/dbraw/zinc/37/19/52/146371952.db2.gz UFWIQWIFRPCITR-CYBMUJFWSA-N 2 2 320.824 2.949 10 0 DFAELP CC1(C)C[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)CC[C@H]1[NH3+] ZINC000262556024 146371954 /nfs/dbraw/zinc/37/19/54/146371954.db2.gz UFWIQWIFRPCITR-CYBMUJFWSA-N 2 2 320.824 2.949 10 0 DFAELP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000253560673 427217373 /nfs/dbraw/zinc/21/73/73/427217373.db2.gz BBWLBNDXTFGBQC-CVEARBPZSA-N 2 2 319.449 2.676 10 0 DFAELP C[N@H+](Cc1cscn1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299797041 427770602 /nfs/dbraw/zinc/77/06/02/427770602.db2.gz QRSBWIYSCHMIFM-UHFFFAOYSA-N 2 2 317.458 2.906 10 0 DFAELP C[N@@H+](Cc1cscn1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299797041 427770604 /nfs/dbraw/zinc/77/06/04/427770604.db2.gz QRSBWIYSCHMIFM-UHFFFAOYSA-N 2 2 317.458 2.906 10 0 DFAELP CC[NH2+]CC1CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000262006544 535460529 /nfs/dbraw/zinc/46/05/29/535460529.db2.gz URRBYQKQLPOQOM-UHFFFAOYSA-N 2 2 307.385 2.983 10 0 DFAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)CCOC ZINC000043021244 183329512 /nfs/dbraw/zinc/32/95/12/183329512.db2.gz PAAHNMWQDVIFKB-ZIAGYGMSSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)CCOC ZINC000043021244 183329513 /nfs/dbraw/zinc/32/95/13/183329513.db2.gz PAAHNMWQDVIFKB-ZIAGYGMSSA-N 2 2 315.255 2.806 10 0 DFAELP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000057399653 184037320 /nfs/dbraw/zinc/03/73/20/184037320.db2.gz JKVRSPDPBZHYAS-SNVBAGLBSA-N 2 2 310.195 2.530 10 0 DFAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1ccc2ccnnc2c1 ZINC000616679327 399497430 /nfs/dbraw/zinc/49/74/30/399497430.db2.gz GCMPVAQNKVBIDN-LJQANCHMSA-N 2 2 304.397 2.536 10 0 DFAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1ccc2ccnnc2c1 ZINC000616679327 399497432 /nfs/dbraw/zinc/49/74/32/399497432.db2.gz GCMPVAQNKVBIDN-LJQANCHMSA-N 2 2 304.397 2.536 10 0 DFAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc2nnccc2c1 ZINC000616691660 399499658 /nfs/dbraw/zinc/49/96/58/399499658.db2.gz HQGSBRMNNYUWGH-IBGZPJMESA-N 2 2 304.397 2.536 10 0 DFAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1ccc2nnccc2c1 ZINC000616691660 399499660 /nfs/dbraw/zinc/49/96/60/399499660.db2.gz HQGSBRMNNYUWGH-IBGZPJMESA-N 2 2 304.397 2.536 10 0 DFAELP CCn1cc[nH+]c1CN1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000020538865 257211698 /nfs/dbraw/zinc/21/16/98/257211698.db2.gz VGXFAASKTWARRX-SFHVURJKSA-N 2 2 312.461 2.999 10 0 DFAELP CCn1cc[nH+]c1CN1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000020538865 257211699 /nfs/dbraw/zinc/21/16/99/257211699.db2.gz VGXFAASKTWARRX-SFHVURJKSA-N 2 2 312.461 2.999 10 0 DFAELP Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cc1 ZINC000261877282 292133278 /nfs/dbraw/zinc/13/32/78/292133278.db2.gz UHADFOTWOWILMP-DLBZAZTESA-N 2 2 315.461 2.550 10 0 DFAELP Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cc1 ZINC000261877282 292133279 /nfs/dbraw/zinc/13/32/79/292133279.db2.gz UHADFOTWOWILMP-DLBZAZTESA-N 2 2 315.461 2.550 10 0 DFAELP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261656505 146255495 /nfs/dbraw/zinc/25/54/95/146255495.db2.gz HWLILLZBJJQNTK-DOMZBBRYSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261656505 146255498 /nfs/dbraw/zinc/25/54/98/146255498.db2.gz HWLILLZBJJQNTK-DOMZBBRYSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261733309 146268165 /nfs/dbraw/zinc/26/81/65/146268165.db2.gz JZTKOPCQSCENBC-GJZGRUSLSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261733309 146268167 /nfs/dbraw/zinc/26/81/67/146268167.db2.gz JZTKOPCQSCENBC-GJZGRUSLSA-N 2 2 303.450 2.690 10 0 DFAELP CC1(C)C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000261831746 146284772 /nfs/dbraw/zinc/28/47/72/146284772.db2.gz QBOORNFIWOSZBB-MRXNPFEDSA-N 2 2 302.397 2.571 10 0 DFAELP CC1(C)C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000261831746 146284774 /nfs/dbraw/zinc/28/47/74/146284774.db2.gz QBOORNFIWOSZBB-MRXNPFEDSA-N 2 2 302.397 2.571 10 0 DFAELP CCOc1c(OC)cc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261835640 146285909 /nfs/dbraw/zinc/28/59/09/146285909.db2.gz ZDBIYMRDSWAELB-MRXNPFEDSA-N 2 2 322.449 2.662 10 0 DFAELP CCOc1c(OC)cc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261835640 146285913 /nfs/dbraw/zinc/28/59/13/146285913.db2.gz ZDBIYMRDSWAELB-MRXNPFEDSA-N 2 2 322.449 2.662 10 0 DFAELP Cc1ccc(Cl)cc1N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261880855 146294567 /nfs/dbraw/zinc/29/45/67/146294567.db2.gz QYYQIURXFMJJHQ-KRWDZBQOSA-N 2 2 307.869 2.770 10 0 DFAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000262002268 146321536 /nfs/dbraw/zinc/32/15/36/146321536.db2.gz UFRIUULDDRBKKU-AWEZNQCLSA-N 2 2 310.825 2.686 10 0 DFAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000262002268 146321538 /nfs/dbraw/zinc/32/15/38/146321538.db2.gz UFRIUULDDRBKKU-AWEZNQCLSA-N 2 2 310.825 2.686 10 0 DFAELP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1Cl ZINC000262399935 146356605 /nfs/dbraw/zinc/35/66/05/146356605.db2.gz CDVWEICGRMXHNU-SWLSCSKDSA-N 2 2 323.868 2.576 10 0 DFAELP C[C@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1Cl ZINC000262399935 146356609 /nfs/dbraw/zinc/35/66/09/146356609.db2.gz CDVWEICGRMXHNU-SWLSCSKDSA-N 2 2 323.868 2.576 10 0 DFAELP CC1(C)C[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)CC[C@@H]1[NH3+] ZINC000262556033 146371216 /nfs/dbraw/zinc/37/12/16/146371216.db2.gz UFWIQWIFRPCITR-ZDUSSCGKSA-N 2 2 320.824 2.949 10 0 DFAELP CC1(C)C[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)CC[C@@H]1[NH3+] ZINC000262556033 146371219 /nfs/dbraw/zinc/37/12/19/146371219.db2.gz UFWIQWIFRPCITR-ZDUSSCGKSA-N 2 2 320.824 2.949 10 0 DFAELP COCCN1CCN(c2cccc(C)[nH+]2)Cc2ccc(C)[nH+]c21 ZINC000096069223 277526898 /nfs/dbraw/zinc/52/68/98/277526898.db2.gz VBHBMTJJMLMIPG-UHFFFAOYSA-N 2 2 312.417 2.566 10 0 DFAELP CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262561462 535864394 /nfs/dbraw/zinc/86/43/94/535864394.db2.gz VOLLHAOKWYGVHF-OAHLLOKOSA-N 2 2 303.450 2.555 10 0 DFAELP CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262561462 535864400 /nfs/dbraw/zinc/86/44/00/535864400.db2.gz VOLLHAOKWYGVHF-OAHLLOKOSA-N 2 2 303.450 2.555 10 0 DFAELP CC(C)[N@H+](CCO)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042955228 183321916 /nfs/dbraw/zinc/32/19/16/183321916.db2.gz BLWJDCKLWIQHSB-RISCZKNCSA-N 2 2 315.255 2.540 10 0 DFAELP CC(C)[N@@H+](CCO)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042955228 183321918 /nfs/dbraw/zinc/32/19/18/183321918.db2.gz BLWJDCKLWIQHSB-RISCZKNCSA-N 2 2 315.255 2.540 10 0 DFAELP CC1(C)C[N@H+](Cc2cc(O)ccc2Br)CC[C@@H]1[NH3+] ZINC000261628757 146249275 /nfs/dbraw/zinc/24/92/75/146249275.db2.gz FCQAHRVVUZRQAT-ZDUSSCGKSA-N 2 2 313.239 2.714 10 0 DFAELP CC1(C)C[N@@H+](Cc2cc(O)ccc2Br)CC[C@@H]1[NH3+] ZINC000261628757 146249281 /nfs/dbraw/zinc/24/92/81/146249281.db2.gz FCQAHRVVUZRQAT-ZDUSSCGKSA-N 2 2 313.239 2.714 10 0 DFAELP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261656509 146255009 /nfs/dbraw/zinc/25/50/09/146255009.db2.gz HWLILLZBJJQNTK-IUODEOHRSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261656509 146255013 /nfs/dbraw/zinc/25/50/13/146255013.db2.gz HWLILLZBJJQNTK-IUODEOHRSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1F ZINC000261667237 146256999 /nfs/dbraw/zinc/25/69/99/146256999.db2.gz ISTRZSOAGRNMBM-DOMZBBRYSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1F ZINC000261667237 146257004 /nfs/dbraw/zinc/25/70/04/146257004.db2.gz ISTRZSOAGRNMBM-DOMZBBRYSA-N 2 2 307.413 2.520 10 0 DFAELP CC1(C)C[N@H+](Cc2c(F)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000261676528 146257965 /nfs/dbraw/zinc/25/79/65/146257965.db2.gz JQILUEAWZOTYEC-KRWDZBQOSA-N 2 2 305.441 2.985 10 0 DFAELP CC1(C)C[N@@H+](Cc2c(F)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000261676528 146257970 /nfs/dbraw/zinc/25/79/70/146257970.db2.gz JQILUEAWZOTYEC-KRWDZBQOSA-N 2 2 305.441 2.985 10 0 DFAELP CO[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000262341894 146352470 /nfs/dbraw/zinc/35/24/70/146352470.db2.gz UKTFTPJFOQQNNM-OCCSQVGLSA-N 2 2 318.339 2.523 10 0 DFAELP CO[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000262341894 146352471 /nfs/dbraw/zinc/35/24/71/146352471.db2.gz UKTFTPJFOQQNNM-OCCSQVGLSA-N 2 2 318.339 2.523 10 0 DFAELP Cc1ccc2c(C[N@H+]3CC[C@H](C)C[C@@H]3C[NH3+])cc(=O)oc2c1 ZINC000262551228 146370077 /nfs/dbraw/zinc/37/00/77/146370077.db2.gz SLBURQLQQDOJTC-DZGCQCFKSA-N 2 2 300.402 2.661 10 0 DFAELP Cc1ccc2c(C[N@@H+]3CC[C@H](C)C[C@@H]3C[NH3+])cc(=O)oc2c1 ZINC000262551228 146370080 /nfs/dbraw/zinc/37/00/80/146370080.db2.gz SLBURQLQQDOJTC-DZGCQCFKSA-N 2 2 300.402 2.661 10 0 DFAELP Cc1[nH+]c(-c2ccc(Cl)cc2)nc(N2CC[NH2+]CC2)c1C ZINC000006706310 425626795 /nfs/dbraw/zinc/62/67/95/425626795.db2.gz OZCCBEVGHARXRG-UHFFFAOYSA-N 2 2 302.809 2.823 10 0 DFAELP Cc1ccn2c(CN(CC[NH3+])CCc3ccccc3)c[nH+]c2c1 ZINC000261970003 274815361 /nfs/dbraw/zinc/81/53/61/274815361.db2.gz IDWVJDTVTHFROE-UHFFFAOYSA-N 2 2 308.429 2.646 10 0 DFAELP CC1(C)C[N@H+](CC(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000261915895 535353983 /nfs/dbraw/zinc/35/39/83/535353983.db2.gz YCRSOWXSZCRSDZ-KRWDZBQOSA-N 2 2 311.429 2.838 10 0 DFAELP CC1(C)C[N@@H+](CC(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000261915895 535353986 /nfs/dbraw/zinc/35/39/86/535353986.db2.gz YCRSOWXSZCRSDZ-KRWDZBQOSA-N 2 2 311.429 2.838 10 0 DFAELP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000182102343 199387309 /nfs/dbraw/zinc/38/73/09/199387309.db2.gz RVIPJCBQVKIZPO-YGRLFVJLSA-N 2 2 306.797 2.838 10 0 DFAELP Brc1ccc(OCC[NH2+]CC[NH+]2CCCC2)cc1 ZINC000041564879 183202978 /nfs/dbraw/zinc/20/29/78/183202978.db2.gz ORNKRMUIRAIJLG-UHFFFAOYSA-N 2 2 313.239 2.513 10 0 DFAELP C[C@H](C[N@H+](C)Cc1cc(Br)ccc1F)C(N)=[NH2+] ZINC000042459549 183272918 /nfs/dbraw/zinc/27/29/18/183272918.db2.gz NJHRWCIVEBCGLT-MRVPVSSYSA-N 2 2 302.191 2.592 10 0 DFAELP C[C@H](C[N@@H+](C)Cc1cc(Br)ccc1F)C(N)=[NH2+] ZINC000042459549 183272919 /nfs/dbraw/zinc/27/29/19/183272919.db2.gz NJHRWCIVEBCGLT-MRVPVSSYSA-N 2 2 302.191 2.592 10 0 DFAELP CCC[N@H+](CCO)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021221 183329681 /nfs/dbraw/zinc/32/96/81/183329681.db2.gz HMZMDLOCKADANA-BXUZGUMPSA-N 2 2 315.255 2.542 10 0 DFAELP CCC[N@@H+](CCO)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021221 183329683 /nfs/dbraw/zinc/32/96/83/183329683.db2.gz HMZMDLOCKADANA-BXUZGUMPSA-N 2 2 315.255 2.542 10 0 DFAELP COc1ccc(Br)cc1Cn1cc[nH+]c1C[C@@H](C)[NH3+] ZINC000062802980 184253598 /nfs/dbraw/zinc/25/35/98/184253598.db2.gz MEHMCDQNSTUDCJ-SNVBAGLBSA-N 2 2 324.222 2.592 10 0 DFAELP Cc1ccc[nH+]c1C[C@@H](C)Nc1nc(CC[NH3+])nc2ccccc21 ZINC000065387447 184333746 /nfs/dbraw/zinc/33/37/46/184333746.db2.gz IXDIIWKXPQOVIM-CQSZACIVSA-N 2 2 321.428 2.878 10 0 DFAELP Cc1cccc2[nH+]c(CCc3nc(C4([NH3+])CCCC4)no3)[nH]c21 ZINC000261806230 146280050 /nfs/dbraw/zinc/28/00/50/146280050.db2.gz PNSDHRUXSCBBAY-UHFFFAOYSA-N 2 2 311.389 2.768 10 0 DFAELP Cc1cccc2[nH]c(CCc3nc(C4([NH3+])CCCC4)no3)[nH+]c21 ZINC000261806230 146280052 /nfs/dbraw/zinc/28/00/52/146280052.db2.gz PNSDHRUXSCBBAY-UHFFFAOYSA-N 2 2 311.389 2.768 10 0 DFAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261871346 146291645 /nfs/dbraw/zinc/29/16/45/146291645.db2.gz SZRRXXKXIZJOMT-HNNXBMFYSA-N 2 2 304.413 2.755 10 0 DFAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261871346 146291648 /nfs/dbraw/zinc/29/16/48/146291648.db2.gz SZRRXXKXIZJOMT-HNNXBMFYSA-N 2 2 304.413 2.755 10 0 DFAELP CCc1ccc(-c2noc(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)n2)cc1 ZINC000261895264 536161129 /nfs/dbraw/zinc/16/11/29/536161129.db2.gz VYSAZQHTWHAYSO-OAHLLOKOSA-N 2 2 314.433 2.858 10 0 DFAELP CCc1ccc(-c2noc(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)n2)cc1 ZINC000261895264 536161132 /nfs/dbraw/zinc/16/11/32/536161132.db2.gz VYSAZQHTWHAYSO-OAHLLOKOSA-N 2 2 314.433 2.858 10 0 DFAELP C[NH+](C)[C@@H](C[NH3+])c1ccc(Br)c(Br)c1 ZINC000234286436 398360290 /nfs/dbraw/zinc/36/02/90/398360290.db2.gz KTRZZDJXAXITMQ-JTQLQIEISA-N 2 2 322.044 2.773 10 0 DFAELP COc1ccc(CC[C@@H]2[NH2+]CCn3c(C)[nH+]c(C)c32)c(OC)c1 ZINC000114149249 398744141 /nfs/dbraw/zinc/74/41/41/398744141.db2.gz WMLZIXPKOSQDFU-INIZCTEOSA-N 2 2 315.417 2.794 10 0 DFAELP C[C@H](C[N@H+](C)Cc1ccc(F)cc1Br)C(N)=[NH2+] ZINC000042459561 183272603 /nfs/dbraw/zinc/27/26/03/183272603.db2.gz SWFSOCYNHCGLIB-MRVPVSSYSA-N 2 2 302.191 2.592 10 0 DFAELP C[C@H](C[N@@H+](C)Cc1ccc(F)cc1Br)C(N)=[NH2+] ZINC000042459561 183272604 /nfs/dbraw/zinc/27/26/04/183272604.db2.gz SWFSOCYNHCGLIB-MRVPVSSYSA-N 2 2 302.191 2.592 10 0 DFAELP COCC[N@@H+]1CCCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000063527227 184284743 /nfs/dbraw/zinc/28/47/43/184284743.db2.gz KPSRJAJZBPYFAN-UHFFFAOYSA-N 2 2 306.425 2.903 10 0 DFAELP COCC[N@H+]1CCCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000063527227 184284744 /nfs/dbraw/zinc/28/47/44/184284744.db2.gz KPSRJAJZBPYFAN-UHFFFAOYSA-N 2 2 306.425 2.903 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)CC1 ZINC000616629154 399491674 /nfs/dbraw/zinc/49/16/74/399491674.db2.gz SNIHBVCMZZFGJJ-CYBMUJFWSA-N 2 2 308.426 2.504 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)CC1 ZINC000616629154 399491676 /nfs/dbraw/zinc/49/16/76/399491676.db2.gz SNIHBVCMZZFGJJ-CYBMUJFWSA-N 2 2 308.426 2.504 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616630627 399492917 /nfs/dbraw/zinc/49/29/17/399492917.db2.gz RNXVHAUSFFCSRW-CYBMUJFWSA-N 2 2 308.426 2.504 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616630627 399492922 /nfs/dbraw/zinc/49/29/22/399492922.db2.gz RNXVHAUSFFCSRW-CYBMUJFWSA-N 2 2 308.426 2.504 10 0 DFAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000261835998 146285481 /nfs/dbraw/zinc/28/54/81/146285481.db2.gz QFNCRGSIVUPNOV-ZBFHGGJFSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000261835998 146285484 /nfs/dbraw/zinc/28/54/84/146285484.db2.gz QFNCRGSIVUPNOV-ZBFHGGJFSA-N 2 2 303.450 2.690 10 0 DFAELP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261853347 146288711 /nfs/dbraw/zinc/28/87/11/146288711.db2.gz RREIYWHUWVWNOV-TZMCWYRMSA-N 2 2 300.406 2.857 10 0 DFAELP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261853347 146288714 /nfs/dbraw/zinc/28/87/14/146288714.db2.gz RREIYWHUWVWNOV-TZMCWYRMSA-N 2 2 300.406 2.857 10 0 DFAELP CC1(C)C[N@@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@@H]1[NH3+] ZINC000261905577 146299403 /nfs/dbraw/zinc/29/94/03/146299403.db2.gz WYSBXXGJLQWUEJ-GJZGRUSLSA-N 2 2 321.852 2.505 10 0 DFAELP CC1(C)C[N@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@@H]1[NH3+] ZINC000261905577 146299405 /nfs/dbraw/zinc/29/94/05/146299405.db2.gz WYSBXXGJLQWUEJ-GJZGRUSLSA-N 2 2 321.852 2.505 10 0 DFAELP CC1(C)C[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)CC[C@H]1[NH3+] ZINC000262086817 146332132 /nfs/dbraw/zinc/33/21/32/146332132.db2.gz GDXFIHVGEBNWPV-MRXNPFEDSA-N 2 2 320.387 2.710 10 0 DFAELP CC1(C)C[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)CC[C@H]1[NH3+] ZINC000262086817 146332135 /nfs/dbraw/zinc/33/21/35/146332135.db2.gz GDXFIHVGEBNWPV-MRXNPFEDSA-N 2 2 320.387 2.710 10 0 DFAELP CC1(C)C[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000262424646 146358690 /nfs/dbraw/zinc/35/86/90/146358690.db2.gz FINVFMXTERBDLV-ZDUSSCGKSA-N 2 2 320.824 2.949 10 0 DFAELP CC1(C)C[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000262424646 146358693 /nfs/dbraw/zinc/35/86/93/146358693.db2.gz FINVFMXTERBDLV-ZDUSSCGKSA-N 2 2 320.824 2.949 10 0 DFAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000262583724 146375345 /nfs/dbraw/zinc/37/53/45/146375345.db2.gz ZKBDLXUUUJZPHL-HNNXBMFYSA-N 2 2 303.450 2.610 10 0 DFAELP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000262583724 146375348 /nfs/dbraw/zinc/37/53/48/146375348.db2.gz ZKBDLXUUUJZPHL-HNNXBMFYSA-N 2 2 303.450 2.610 10 0 DFAELP c1csc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)c1 ZINC000038042496 275074784 /nfs/dbraw/zinc/07/47/84/275074784.db2.gz PHLLHGDBKVFMHY-LBPRGKRZSA-N 2 2 304.419 2.687 10 0 DFAELP c1csc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)c1 ZINC000038042496 275074785 /nfs/dbraw/zinc/07/47/85/275074785.db2.gz PHLLHGDBKVFMHY-LBPRGKRZSA-N 2 2 304.419 2.687 10 0 DFAELP CC[NH+](CC)C[C@H](O)CNc1cc[nH+]c2c(N)c(Cl)ccc12 ZINC000584627891 337376146 /nfs/dbraw/zinc/37/61/46/337376146.db2.gz OPJBZLKEMFMUHO-LLVKDONJSA-N 2 2 322.840 2.585 10 0 DFAELP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262557521 535710655 /nfs/dbraw/zinc/71/06/55/535710655.db2.gz UOAFKYKDFIHUPH-KRWDZBQOSA-N 2 2 304.434 2.847 10 0 DFAELP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262557521 535710659 /nfs/dbraw/zinc/71/06/59/535710659.db2.gz UOAFKYKDFIHUPH-KRWDZBQOSA-N 2 2 304.434 2.847 10 0 DFAELP COc1ccc(Br)cc1C[N@H+](CC[NH3+])C(C)C ZINC000042428508 183269693 /nfs/dbraw/zinc/26/96/93/183269693.db2.gz GYUSPARTBXVDIV-UHFFFAOYSA-N 2 2 301.228 2.627 10 0 DFAELP COc1ccc(Br)cc1C[N@@H+](CC[NH3+])C(C)C ZINC000042428508 183269697 /nfs/dbraw/zinc/26/96/97/183269697.db2.gz GYUSPARTBXVDIV-UHFFFAOYSA-N 2 2 301.228 2.627 10 0 DFAELP CCC[N@H+](CC[NH2+]C)Cc1ccc(OC)c(Br)c1 ZINC000042404438 183263991 /nfs/dbraw/zinc/26/39/91/183263991.db2.gz GARTZFUABOLMKU-UHFFFAOYSA-N 2 2 315.255 2.889 10 0 DFAELP CCC[N@@H+](CC[NH2+]C)Cc1ccc(OC)c(Br)c1 ZINC000042404438 183263993 /nfs/dbraw/zinc/26/39/93/183263993.db2.gz GARTZFUABOLMKU-UHFFFAOYSA-N 2 2 315.255 2.889 10 0 DFAELP NC(=[NH2+])CC[N@H+](Cc1cc(Br)cs1)C1CC1 ZINC000043687521 183381318 /nfs/dbraw/zinc/38/13/18/183381318.db2.gz KNHVSWCSFHPVTM-UHFFFAOYSA-N 2 2 302.241 2.801 10 0 DFAELP NC(=[NH2+])CC[N@@H+](Cc1cc(Br)cs1)C1CC1 ZINC000043687521 183381321 /nfs/dbraw/zinc/38/13/21/183381321.db2.gz KNHVSWCSFHPVTM-UHFFFAOYSA-N 2 2 302.241 2.801 10 0 DFAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261645169 146252782 /nfs/dbraw/zinc/25/27/82/146252782.db2.gz DWFBSHVIDPYCTH-HOTGVXAUSA-N 2 2 317.477 2.998 10 0 DFAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261645169 146252786 /nfs/dbraw/zinc/25/27/86/146252786.db2.gz DWFBSHVIDPYCTH-HOTGVXAUSA-N 2 2 317.477 2.998 10 0 DFAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261779775 146274942 /nfs/dbraw/zinc/27/49/42/146274942.db2.gz TVULXHTYSVTHQY-ZBFHGGJFSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261779775 146274944 /nfs/dbraw/zinc/27/49/44/146274944.db2.gz TVULXHTYSVTHQY-ZBFHGGJFSA-N 2 2 303.450 2.690 10 0 DFAELP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261845425 146287217 /nfs/dbraw/zinc/28/72/17/146287217.db2.gz QYRLICBWRFOAMQ-XJKSGUPXSA-N 2 2 303.450 2.635 10 0 DFAELP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261845425 146287222 /nfs/dbraw/zinc/28/72/22/146287222.db2.gz QYRLICBWRFOAMQ-XJKSGUPXSA-N 2 2 303.450 2.635 10 0 DFAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262537307 146369432 /nfs/dbraw/zinc/36/94/32/146369432.db2.gz QLPMILUTADCIDZ-MRXNPFEDSA-N 2 2 303.450 2.808 10 0 DFAELP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262537307 146369435 /nfs/dbraw/zinc/36/94/35/146369435.db2.gz QLPMILUTADCIDZ-MRXNPFEDSA-N 2 2 303.450 2.808 10 0 DFAELP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000253560675 427217581 /nfs/dbraw/zinc/21/75/81/427217581.db2.gz BBWLBNDXTFGBQC-HZPDHXFCSA-N 2 2 319.449 2.676 10 0 DFAELP CC[NH+](CC)C[C@@H](O)CNc1cc[nH+]c2c(N)c(Cl)ccc12 ZINC000584627892 337376243 /nfs/dbraw/zinc/37/62/43/337376243.db2.gz OPJBZLKEMFMUHO-NSHDSACASA-N 2 2 322.840 2.585 10 0 DFAELP C[C@@H](C[N@H+](C)Cc1ccc(Br)cc1F)C(N)=[NH2+] ZINC000042459798 183272760 /nfs/dbraw/zinc/27/27/60/183272760.db2.gz UPEQKZVJILAKFF-QMMMGPOBSA-N 2 2 302.191 2.592 10 0 DFAELP C[C@@H](C[N@@H+](C)Cc1ccc(Br)cc1F)C(N)=[NH2+] ZINC000042459798 183272762 /nfs/dbraw/zinc/27/27/62/183272762.db2.gz UPEQKZVJILAKFF-QMMMGPOBSA-N 2 2 302.191 2.592 10 0 DFAELP CC[NH2+]CC[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000042367950 183260234 /nfs/dbraw/zinc/26/02/34/183260234.db2.gz NYKYQOMXUMKKDX-UHFFFAOYSA-N 2 2 315.255 2.759 10 0 DFAELP CC[NH2+]CC[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000042367950 183260235 /nfs/dbraw/zinc/26/02/35/183260235.db2.gz NYKYQOMXUMKKDX-UHFFFAOYSA-N 2 2 315.255 2.759 10 0 DFAELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1cc(Br)ccc1F ZINC000062802785 184253813 /nfs/dbraw/zinc/25/38/13/184253813.db2.gz TXBGZYISHHYXEU-VIFPVBQESA-N 2 2 312.186 2.723 10 0 DFAELP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000062702777 184248005 /nfs/dbraw/zinc/24/80/05/184248005.db2.gz BSOUVCYLUQXVCU-SNVBAGLBSA-N 2 2 301.228 2.585 10 0 DFAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(Cl)cc1 ZINC000261605040 146245597 /nfs/dbraw/zinc/24/55/97/146245597.db2.gz AZILONPMWSALIH-IUODEOHRSA-N 2 2 323.868 2.576 10 0 DFAELP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(Cl)cc1 ZINC000261605040 146245602 /nfs/dbraw/zinc/24/56/02/146245602.db2.gz AZILONPMWSALIH-IUODEOHRSA-N 2 2 323.868 2.576 10 0 DFAELP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261639329 146251254 /nfs/dbraw/zinc/25/12/54/146251254.db2.gz GEGRNNKWMNJYSD-DOMZBBRYSA-N 2 2 321.490 2.795 10 0 DFAELP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261639329 146251262 /nfs/dbraw/zinc/25/12/62/146251262.db2.gz GEGRNNKWMNJYSD-DOMZBBRYSA-N 2 2 321.490 2.795 10 0 DFAELP [NH3+][C@H]1CCC[C@H](CNc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000261650288 146254028 /nfs/dbraw/zinc/25/40/28/146254028.db2.gz JOMZCAZDWDLPLO-KBPBESRZSA-N 2 2 322.416 2.745 10 0 DFAELP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(C(F)(F)F)s3)C[C@@H]21 ZINC000261654219 146255475 /nfs/dbraw/zinc/25/54/75/146255475.db2.gz BGJVFDHHDLQWQX-INTQDDNPSA-N 2 2 305.369 2.721 10 0 DFAELP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(C(F)(F)F)s3)C[C@@H]21 ZINC000261654219 146255478 /nfs/dbraw/zinc/25/54/78/146255478.db2.gz BGJVFDHHDLQWQX-INTQDDNPSA-N 2 2 305.369 2.721 10 0 DFAELP CC1(C)C[N@H+](Cc2cnc(-c3ccccn3)s2)CC[C@@H]1[NH3+] ZINC000261678475 146257623 /nfs/dbraw/zinc/25/76/23/146257623.db2.gz JVBPEQBBTSJNKZ-AWEZNQCLSA-N 2 2 302.447 2.764 10 0 DFAELP CC1(C)C[N@@H+](Cc2cnc(-c3ccccn3)s2)CC[C@@H]1[NH3+] ZINC000261678475 146257626 /nfs/dbraw/zinc/25/76/26/146257626.db2.gz JVBPEQBBTSJNKZ-AWEZNQCLSA-N 2 2 302.447 2.764 10 0 DFAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261733307 146267436 /nfs/dbraw/zinc/26/74/36/146267436.db2.gz JZTKOPCQSCENBC-CABCVRRESA-N 2 2 303.450 2.690 10 0 DFAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261733307 146267442 /nfs/dbraw/zinc/26/74/42/146267442.db2.gz JZTKOPCQSCENBC-CABCVRRESA-N 2 2 303.450 2.690 10 0 DFAELP CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261770372 146273588 /nfs/dbraw/zinc/27/35/88/146273588.db2.gz MIKUEYNWFIKBGY-INIZCTEOSA-N 2 2 317.477 2.982 10 0 DFAELP CC(C)(C)c1ccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261770372 146273591 /nfs/dbraw/zinc/27/35/91/146273591.db2.gz MIKUEYNWFIKBGY-INIZCTEOSA-N 2 2 317.477 2.982 10 0 DFAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261779771 146274873 /nfs/dbraw/zinc/27/48/73/146274873.db2.gz TVULXHTYSVTHQY-HOCLYGCPSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261779771 146274874 /nfs/dbraw/zinc/27/48/74/146274874.db2.gz TVULXHTYSVTHQY-HOCLYGCPSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000261804637 146280130 /nfs/dbraw/zinc/28/01/30/146280130.db2.gz WCQDIXQCZABZHI-WBVHZDCISA-N 2 2 317.477 2.540 10 0 DFAELP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000261804637 146280133 /nfs/dbraw/zinc/28/01/33/146280133.db2.gz WCQDIXQCZABZHI-WBVHZDCISA-N 2 2 317.477 2.540 10 0 DFAELP CC(C)[C@@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261822862 146282745 /nfs/dbraw/zinc/28/27/45/146282745.db2.gz PNUQARVOKLZYTJ-SJLPKXTDSA-N 2 2 317.477 2.559 10 0 DFAELP CC(C)[C@@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261822862 146282747 /nfs/dbraw/zinc/28/27/47/146282747.db2.gz PNUQARVOKLZYTJ-SJLPKXTDSA-N 2 2 317.477 2.559 10 0 DFAELP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261853346 146289077 /nfs/dbraw/zinc/28/90/77/146289077.db2.gz RREIYWHUWVWNOV-OCCSQVGLSA-N 2 2 300.406 2.857 10 0 DFAELP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261853346 146289080 /nfs/dbraw/zinc/28/90/80/146289080.db2.gz RREIYWHUWVWNOV-OCCSQVGLSA-N 2 2 300.406 2.857 10 0 DFAELP CC1(C)C[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000261931904 146304071 /nfs/dbraw/zinc/30/40/71/146304071.db2.gz ZWCYSRUGSQXIAL-CQSZACIVSA-N 2 2 320.387 2.914 10 0 DFAELP CC1(C)C[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000261931904 146304075 /nfs/dbraw/zinc/30/40/75/146304075.db2.gz ZWCYSRUGSQXIAL-CQSZACIVSA-N 2 2 320.387 2.914 10 0 DFAELP CC1(C)C[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000261957449 146310204 /nfs/dbraw/zinc/31/02/04/146310204.db2.gz OVGYUOCMUOLJBI-QGZVFWFLSA-N 2 2 316.424 2.630 10 0 DFAELP CC1(C)C[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000261957449 146310206 /nfs/dbraw/zinc/31/02/06/146310206.db2.gz OVGYUOCMUOLJBI-QGZVFWFLSA-N 2 2 316.424 2.630 10 0 DFAELP CO[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000262341911 146352802 /nfs/dbraw/zinc/35/28/02/146352802.db2.gz UKTFTPJFOQQNNM-TZMCWYRMSA-N 2 2 318.339 2.523 10 0 DFAELP CO[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000262341911 146352804 /nfs/dbraw/zinc/35/28/04/146352804.db2.gz UKTFTPJFOQQNNM-TZMCWYRMSA-N 2 2 318.339 2.523 10 0 DFAELP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261872804 535126852 /nfs/dbraw/zinc/12/68/52/535126852.db2.gz TWFMECSZSFXNGG-MRXNPFEDSA-N 2 2 317.477 2.982 10 0 DFAELP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261872804 535126859 /nfs/dbraw/zinc/12/68/59/535126859.db2.gz TWFMECSZSFXNGG-MRXNPFEDSA-N 2 2 317.477 2.982 10 0 DFAELP CCc1[nH+]c(-c2ccc(OC)cc2)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000073683979 191341963 /nfs/dbraw/zinc/34/19/63/191341963.db2.gz NPDUTQXMQNWGOR-AWEZNQCLSA-N 2 2 312.417 2.560 10 0 DFAELP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](CC)CCO ZINC000042953999 183321834 /nfs/dbraw/zinc/32/18/34/183321834.db2.gz IYCGPBBTAOEEOD-KGLIPLIRSA-N 2 2 315.255 2.542 10 0 DFAELP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](CC)CCO ZINC000042953999 183321836 /nfs/dbraw/zinc/32/18/36/183321836.db2.gz IYCGPBBTAOEEOD-KGLIPLIRSA-N 2 2 315.255 2.542 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](c2c[nH]c[nH+]2)C1 ZINC000616629814 399491740 /nfs/dbraw/zinc/49/17/40/399491740.db2.gz QNBYFZWTCLXYIK-CYBMUJFWSA-N 2 2 308.426 2.504 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H](c2c[nH]c[nH+]2)C1 ZINC000616629814 399491742 /nfs/dbraw/zinc/49/17/42/399491742.db2.gz QNBYFZWTCLXYIK-CYBMUJFWSA-N 2 2 308.426 2.504 10 0 DFAELP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(C(F)(F)F)s3)C[C@H]21 ZINC000261654216 146255640 /nfs/dbraw/zinc/25/56/40/146255640.db2.gz BGJVFDHHDLQWQX-FBIMIBRVSA-N 2 2 305.369 2.721 10 0 DFAELP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(C(F)(F)F)s3)C[C@H]21 ZINC000261654216 146255641 /nfs/dbraw/zinc/25/56/41/146255641.db2.gz BGJVFDHHDLQWQX-FBIMIBRVSA-N 2 2 305.369 2.721 10 0 DFAELP COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261654165 146255656 /nfs/dbraw/zinc/25/56/56/146255656.db2.gz HQTXEKORMZUUJV-CQSZACIVSA-N 2 2 314.376 2.856 10 0 DFAELP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261654165 146255657 /nfs/dbraw/zinc/25/56/57/146255657.db2.gz HQTXEKORMZUUJV-CQSZACIVSA-N 2 2 314.376 2.856 10 0 DFAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261667419 146257246 /nfs/dbraw/zinc/25/72/46/146257246.db2.gz IVFRSSUMMCWLSC-GOEBONIOSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261667419 146257250 /nfs/dbraw/zinc/25/72/50/146257250.db2.gz IVFRSSUMMCWLSC-GOEBONIOSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)sc1Br ZINC000261751711 146271260 /nfs/dbraw/zinc/27/12/60/146271260.db2.gz LHDWXZLKFWOEQO-LBPRGKRZSA-N 2 2 303.269 2.990 10 0 DFAELP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)sc1Br ZINC000261751711 146271262 /nfs/dbraw/zinc/27/12/62/146271262.db2.gz LHDWXZLKFWOEQO-LBPRGKRZSA-N 2 2 303.269 2.990 10 0 DFAELP CC1(C)C[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000261781716 146275639 /nfs/dbraw/zinc/27/56/39/146275639.db2.gz UBLTYVOXFPZIMW-ZDUSSCGKSA-N 2 2 302.340 2.986 10 0 DFAELP CC1(C)C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000261781716 146275642 /nfs/dbraw/zinc/27/56/42/146275642.db2.gz UBLTYVOXFPZIMW-ZDUSSCGKSA-N 2 2 302.340 2.986 10 0 DFAELP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1C ZINC000261804635 146280108 /nfs/dbraw/zinc/28/01/08/146280108.db2.gz WCQDIXQCZABZHI-NVXWUHKLSA-N 2 2 317.477 2.540 10 0 DFAELP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1C ZINC000261804635 146280111 /nfs/dbraw/zinc/28/01/11/146280111.db2.gz WCQDIXQCZABZHI-NVXWUHKLSA-N 2 2 317.477 2.540 10 0 DFAELP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261853345 146289283 /nfs/dbraw/zinc/28/92/83/146289283.db2.gz RREIYWHUWVWNOV-JSGCOSHPSA-N 2 2 300.406 2.857 10 0 DFAELP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261853345 146289284 /nfs/dbraw/zinc/28/92/84/146289284.db2.gz RREIYWHUWVWNOV-JSGCOSHPSA-N 2 2 300.406 2.857 10 0 DFAELP CC1(C)C[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000262424644 146359191 /nfs/dbraw/zinc/35/91/91/146359191.db2.gz FINVFMXTERBDLV-CYBMUJFWSA-N 2 2 320.824 2.949 10 0 DFAELP CC1(C)C[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000262424644 146359194 /nfs/dbraw/zinc/35/91/94/146359194.db2.gz FINVFMXTERBDLV-CYBMUJFWSA-N 2 2 320.824 2.949 10 0 DFAELP [NH3+]C[C@@H](Cc1ccc(F)cc1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000584620934 337374792 /nfs/dbraw/zinc/37/47/92/337374792.db2.gz VHFOJVXIXJGKDO-CQSZACIVSA-N 2 2 304.331 2.970 10 0 DFAELP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc(Cl)c1OC ZINC000261658726 536770140 /nfs/dbraw/zinc/77/01/40/536770140.db2.gz HZYMDUFNOPJYJG-AWEZNQCLSA-N 2 2 312.841 2.916 10 0 DFAELP COc1cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc(Cl)c1OC ZINC000261658726 536770146 /nfs/dbraw/zinc/77/01/46/536770146.db2.gz HZYMDUFNOPJYJG-AWEZNQCLSA-N 2 2 312.841 2.916 10 0 DFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000039789176 183021961 /nfs/dbraw/zinc/02/19/61/183021961.db2.gz RENGOOZMYPONRS-AWEZNQCLSA-N 2 2 310.438 2.834 10 0 DFAELP Cc1ccc2c(Nc3nc[nH+]c(NN(C)C)c3N)cccc2[nH+]1 ZINC000040760164 183130452 /nfs/dbraw/zinc/13/04/52/183130452.db2.gz ZMZWILWLKNYFPH-UHFFFAOYSA-N 2 2 309.377 2.548 10 0 DFAELP CC(C)[N@H+](CCCO)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955276 183321251 /nfs/dbraw/zinc/32/12/51/183321251.db2.gz PVHVPLXMUJUNMW-CQSZACIVSA-N 2 2 315.255 2.542 10 0 DFAELP CC(C)[N@@H+](CCCO)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955276 183321254 /nfs/dbraw/zinc/32/12/54/183321254.db2.gz PVHVPLXMUJUNMW-CQSZACIVSA-N 2 2 315.255 2.542 10 0 DFAELP CC[N@H+](C)CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110823111 194362525 /nfs/dbraw/zinc/36/25/25/194362525.db2.gz HOTZNRFVSDMFGV-HNNXBMFYSA-N 2 2 311.267 2.848 10 0 DFAELP CC[N@@H+](C)CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110823111 194362527 /nfs/dbraw/zinc/36/25/27/194362527.db2.gz HOTZNRFVSDMFGV-HNNXBMFYSA-N 2 2 311.267 2.848 10 0 DFAELP COc1ccc(Br)cc1Cn1cc[nH+]c1C[C@H](C)[NH3+] ZINC000062802979 184253537 /nfs/dbraw/zinc/25/35/37/184253537.db2.gz MEHMCDQNSTUDCJ-JTQLQIEISA-N 2 2 324.222 2.592 10 0 DFAELP CCn1cc[nH+]c1CN1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000020538863 257211778 /nfs/dbraw/zinc/21/17/78/257211778.db2.gz VGXFAASKTWARRX-GOSISDBHSA-N 2 2 312.461 2.999 10 0 DFAELP CCn1cc[nH+]c1CN1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000020538863 257211780 /nfs/dbraw/zinc/21/17/80/257211780.db2.gz VGXFAASKTWARRX-GOSISDBHSA-N 2 2 312.461 2.999 10 0 DFAELP Cc1nc(N(C)C2CC[NH+](C)CC2)c(N)c(-c2ccccc2)[nH+]1 ZINC000096282101 542556950 /nfs/dbraw/zinc/55/69/50/542556950.db2.gz OPSBZVSRJZZLFK-UHFFFAOYSA-N 2 2 311.433 2.565 10 0 DFAELP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000261596663 146244076 /nfs/dbraw/zinc/24/40/76/146244076.db2.gz MAFVVOPSPKQBIA-STQMWFEESA-N 2 2 309.841 2.728 10 0 DFAELP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000261596663 146244080 /nfs/dbraw/zinc/24/40/80/146244080.db2.gz MAFVVOPSPKQBIA-STQMWFEESA-N 2 2 309.841 2.728 10 0 DFAELP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(Cl)c1OC ZINC000261766699 146272933 /nfs/dbraw/zinc/27/29/33/146272933.db2.gz VOIYNZZYKDTDSI-ZDUSSCGKSA-N 2 2 312.841 2.916 10 0 DFAELP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(Cl)c1OC ZINC000261766699 146272938 /nfs/dbraw/zinc/27/29/38/146272938.db2.gz VOIYNZZYKDTDSI-ZDUSSCGKSA-N 2 2 312.841 2.916 10 0 DFAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262002269 146321520 /nfs/dbraw/zinc/32/15/20/146321520.db2.gz UFRIUULDDRBKKU-CQSZACIVSA-N 2 2 310.825 2.686 10 0 DFAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262002269 146321521 /nfs/dbraw/zinc/32/15/21/146321521.db2.gz UFRIUULDDRBKKU-CQSZACIVSA-N 2 2 310.825 2.686 10 0 DFAELP Cc1nn2c(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)c(C(C)C)nc2s1 ZINC000261794201 279216834 /nfs/dbraw/zinc/21/68/34/279216834.db2.gz VHNXWIOZGOKYIV-CYBMUJFWSA-N 2 2 321.494 2.782 10 0 DFAELP Cc1nn2c(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)c(C(C)C)nc2s1 ZINC000261794201 279216835 /nfs/dbraw/zinc/21/68/35/279216835.db2.gz VHNXWIOZGOKYIV-CYBMUJFWSA-N 2 2 321.494 2.782 10 0 DFAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261829490 302179322 /nfs/dbraw/zinc/17/93/22/302179322.db2.gz PVRHWMPDVHQGKV-ZOBUZTSGSA-N 2 2 317.477 2.620 10 0 DFAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261829490 302179326 /nfs/dbraw/zinc/17/93/26/302179326.db2.gz PVRHWMPDVHQGKV-ZOBUZTSGSA-N 2 2 317.477 2.620 10 0 DFAELP COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])ccc1OC(F)F ZINC000262527305 536767262 /nfs/dbraw/zinc/76/72/62/536767262.db2.gz PBNLHBMETQLESL-WCQYABFASA-N 2 2 314.376 2.856 10 0 DFAELP COc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])ccc1OC(F)F ZINC000262527305 536767266 /nfs/dbraw/zinc/76/72/66/536767266.db2.gz PBNLHBMETQLESL-WCQYABFASA-N 2 2 314.376 2.856 10 0 DFAELP C[NH+]1CCN(C2C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000096331657 398659313 /nfs/dbraw/zinc/65/93/13/398659313.db2.gz VHPCUJXVFCOGMO-UHFFFAOYSA-N 2 2 321.468 2.708 10 0 DFAELP COCC[N@H+]([C@@H](C[NH3+])c1ccc(Br)cc1)C1CC1 ZINC000042517953 183279308 /nfs/dbraw/zinc/27/93/08/183279308.db2.gz MCHXFZNNQBKSPQ-AWEZNQCLSA-N 2 2 313.239 2.560 10 0 DFAELP COCC[N@@H+]([C@@H](C[NH3+])c1ccc(Br)cc1)C1CC1 ZINC000042517953 183279309 /nfs/dbraw/zinc/27/93/09/183279309.db2.gz MCHXFZNNQBKSPQ-AWEZNQCLSA-N 2 2 313.239 2.560 10 0 DFAELP CC[N@H+](CCOC)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954631 183322099 /nfs/dbraw/zinc/32/20/99/183322099.db2.gz OILJGOANMGXPRZ-BXUZGUMPSA-N 2 2 315.255 2.806 10 0 DFAELP CC[N@@H+](CCOC)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954631 183322103 /nfs/dbraw/zinc/32/21/03/183322103.db2.gz OILJGOANMGXPRZ-BXUZGUMPSA-N 2 2 315.255 2.806 10 0 DFAELP CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616612494 399489527 /nfs/dbraw/zinc/48/95/27/399489527.db2.gz OKVDBKLERANYLM-HNNXBMFYSA-N 2 2 319.449 2.806 10 0 DFAELP CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616612494 399489531 /nfs/dbraw/zinc/48/95/31/399489531.db2.gz OKVDBKLERANYLM-HNNXBMFYSA-N 2 2 319.449 2.806 10 0 DFAELP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(C(F)(F)F)s3)C[C@@H]21 ZINC000261654213 146255688 /nfs/dbraw/zinc/25/56/88/146255688.db2.gz BGJVFDHHDLQWQX-DVVUODLYSA-N 2 2 305.369 2.721 10 0 DFAELP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(C(F)(F)F)s3)C[C@@H]21 ZINC000261654213 146255689 /nfs/dbraw/zinc/25/56/89/146255689.db2.gz BGJVFDHHDLQWQX-DVVUODLYSA-N 2 2 305.369 2.721 10 0 DFAELP Cc1ccn2c(CN3CC[NH2+]C[C@H]3c3cccc(F)c3)c[nH+]c2c1 ZINC000261769424 146273612 /nfs/dbraw/zinc/27/36/12/146273612.db2.gz RYKIQKQLELGJKA-SFHVURJKSA-N 2 2 324.403 2.928 10 0 DFAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261779764 146274896 /nfs/dbraw/zinc/27/48/96/146274896.db2.gz TVULXHTYSVTHQY-GDBMZVCRSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261779764 146274897 /nfs/dbraw/zinc/27/48/97/146274897.db2.gz TVULXHTYSVTHQY-GDBMZVCRSA-N 2 2 303.450 2.690 10 0 DFAELP c1cc(OCCC[NH+]2CCCCC2)ccc1C[NH+]1CCOCC1 ZINC000001552005 425582521 /nfs/dbraw/zinc/58/25/21/425582521.db2.gz SWBLVOLQPQNGMO-UHFFFAOYSA-N 2 2 318.461 2.774 10 0 DFAELP COc1ccc2nc(C[N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)sc2c1 ZINC000261747666 537051968 /nfs/dbraw/zinc/05/19/68/537051968.db2.gz CAJIHRFNTXWTIP-AWEZNQCLSA-N 2 2 305.447 2.864 10 0 DFAELP COc1ccc2nc(C[N@H+]3CC[C@H]([NH3+])C(C)(C)C3)sc2c1 ZINC000261747666 537051972 /nfs/dbraw/zinc/05/19/72/537051972.db2.gz CAJIHRFNTXWTIP-AWEZNQCLSA-N 2 2 305.447 2.864 10 0 DFAELP C[C@H]([NH3+])Cc1cc(Br)ccc1OCCn1cc[nH+]c1 ZINC000037725260 190665288 /nfs/dbraw/zinc/66/52/88/190665288.db2.gz GMOOKDDMMMVQPQ-NSHDSACASA-N 2 2 324.222 2.614 10 0 DFAELP COc1ccc(-c2nc(N3CC[C@@H]([NH3+])C3)cc(C(C)C)[nH+]2)cc1 ZINC000070455856 190895411 /nfs/dbraw/zinc/89/54/11/190895411.db2.gz IGUFCDCYGXNCRZ-CQSZACIVSA-N 2 2 312.417 2.813 10 0 DFAELP CC[N@H+](CCC(N)=[NH2+])Cc1ccc(Br)cc1F ZINC000042452737 183272277 /nfs/dbraw/zinc/27/22/77/183272277.db2.gz RONHVWWLLBDDQD-UHFFFAOYSA-N 2 2 302.191 2.736 10 0 DFAELP CC[N@@H+](CCC(N)=[NH2+])Cc1ccc(Br)cc1F ZINC000042452737 183272280 /nfs/dbraw/zinc/27/22/80/183272280.db2.gz RONHVWWLLBDDQD-UHFFFAOYSA-N 2 2 302.191 2.736 10 0 DFAELP CC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042743270 183304875 /nfs/dbraw/zinc/30/48/75/183304875.db2.gz MXYJQGFPOTWESJ-RISCZKNCSA-N 2 2 315.255 2.806 10 0 DFAELP CC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042743270 183304878 /nfs/dbraw/zinc/30/48/78/183304878.db2.gz MXYJQGFPOTWESJ-RISCZKNCSA-N 2 2 315.255 2.806 10 0 DFAELP CCC[N@H+](CCO)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954333 183321320 /nfs/dbraw/zinc/32/13/20/183321320.db2.gz WIESZZICJPFQRW-BXUZGUMPSA-N 2 2 315.255 2.542 10 0 DFAELP CCC[N@@H+](CCO)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954333 183321323 /nfs/dbraw/zinc/32/13/23/183321323.db2.gz WIESZZICJPFQRW-BXUZGUMPSA-N 2 2 315.255 2.542 10 0 DFAELP CC[N@H+](CCOC)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954633 183321643 /nfs/dbraw/zinc/32/16/43/183321643.db2.gz OILJGOANMGXPRZ-RISCZKNCSA-N 2 2 315.255 2.806 10 0 DFAELP CC[N@@H+](CCOC)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954633 183321647 /nfs/dbraw/zinc/32/16/47/183321647.db2.gz OILJGOANMGXPRZ-RISCZKNCSA-N 2 2 315.255 2.806 10 0 DFAELP CC(C)[N@H+](CCCO)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955273 183322143 /nfs/dbraw/zinc/32/21/43/183322143.db2.gz PVHVPLXMUJUNMW-AWEZNQCLSA-N 2 2 315.255 2.542 10 0 DFAELP CC(C)[N@@H+](CCCO)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955273 183322145 /nfs/dbraw/zinc/32/21/45/183322145.db2.gz PVHVPLXMUJUNMW-AWEZNQCLSA-N 2 2 315.255 2.542 10 0 DFAELP CC(=O)Nc1ccc([C@H]2c3ccccc3CC[N@H+]2CC[NH3+])cc1 ZINC000616586953 399486958 /nfs/dbraw/zinc/48/69/58/399486958.db2.gz VCHNAMHHTQFEMH-IBGZPJMESA-N 2 2 309.413 2.551 10 0 DFAELP CC(=O)Nc1ccc([C@H]2c3ccccc3CC[N@@H+]2CC[NH3+])cc1 ZINC000616586953 399486960 /nfs/dbraw/zinc/48/69/60/399486960.db2.gz VCHNAMHHTQFEMH-IBGZPJMESA-N 2 2 309.413 2.551 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2c[nH]c[nH+]2)CC1 ZINC000616628367 399491502 /nfs/dbraw/zinc/49/15/02/399491502.db2.gz QNBUNEPYPPDILQ-CYBMUJFWSA-N 2 2 308.426 2.504 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2c[nH]c[nH+]2)CC1 ZINC000616628367 399491508 /nfs/dbraw/zinc/49/15/08/399491508.db2.gz QNBUNEPYPPDILQ-CYBMUJFWSA-N 2 2 308.426 2.504 10 0 DFAELP COC[C@@H]1C[N@H+](C)C[C@]12CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000253613017 257104814 /nfs/dbraw/zinc/10/48/14/257104814.db2.gz OIQYZXVHHRGNEC-RDJZCZTQSA-N 2 2 308.853 2.740 10 0 DFAELP COC[C@@H]1C[N@@H+](C)C[C@]12CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000253613017 257104815 /nfs/dbraw/zinc/10/48/15/257104815.db2.gz OIQYZXVHHRGNEC-RDJZCZTQSA-N 2 2 308.853 2.740 10 0 DFAELP COC[C@@H]1C[NH+](C)C[C@]12CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000253613017 257104817 /nfs/dbraw/zinc/10/48/17/257104817.db2.gz OIQYZXVHHRGNEC-RDJZCZTQSA-N 2 2 308.853 2.740 10 0 DFAELP COC[C@@H]1C[NH+](C)C[C@]12CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000253613017 257104818 /nfs/dbraw/zinc/10/48/18/257104818.db2.gz OIQYZXVHHRGNEC-RDJZCZTQSA-N 2 2 308.853 2.740 10 0 DFAELP C[NH2+]CCC1CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000261787535 146275903 /nfs/dbraw/zinc/27/59/03/146275903.db2.gz FYGGZKMVJILDOA-UHFFFAOYSA-N 2 2 307.385 2.983 10 0 DFAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262315859 146350309 /nfs/dbraw/zinc/35/03/09/146350309.db2.gz QHGRRHZMBKRZSV-VQIMIIECSA-N 2 2 302.462 2.708 10 0 DFAELP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262572287 146373975 /nfs/dbraw/zinc/37/39/75/146373975.db2.gz XOBJPVRZCLALCE-INIZCTEOSA-N 2 2 303.450 2.808 10 0 DFAELP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262572287 146373978 /nfs/dbraw/zinc/37/39/78/146373978.db2.gz XOBJPVRZCLALCE-INIZCTEOSA-N 2 2 303.450 2.808 10 0 DFAELP COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1OC(F)F ZINC000262582430 286308106 /nfs/dbraw/zinc/30/81/06/286308106.db2.gz ZEPHFVVYIYBPMR-AAEUAGOBSA-N 2 2 314.376 2.856 10 0 DFAELP COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1OC(F)F ZINC000262582430 286308107 /nfs/dbraw/zinc/30/81/07/286308107.db2.gz ZEPHFVVYIYBPMR-AAEUAGOBSA-N 2 2 314.376 2.856 10 0 DFAELP Fc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccncc4)C[C@@H]3C2)c1 ZINC000306126440 534518623 /nfs/dbraw/zinc/51/86/23/534518623.db2.gz DWBTVFQJKRXGKY-QZTJIDSGSA-N 2 2 311.404 2.785 10 0 DFAELP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)co2)cc1 ZINC000261713613 536513725 /nfs/dbraw/zinc/51/37/25/536513725.db2.gz MTWXNHPYMIALMT-MRXNPFEDSA-N 2 2 315.417 2.909 10 0 DFAELP COc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)co2)cc1 ZINC000261713613 536513732 /nfs/dbraw/zinc/51/37/32/536513732.db2.gz MTWXNHPYMIALMT-MRXNPFEDSA-N 2 2 315.417 2.909 10 0 DFAELP NC(=[NH2+])CC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000042547782 183283161 /nfs/dbraw/zinc/28/31/61/183283161.db2.gz HDQSBESEBOEUIP-UHFFFAOYSA-N 2 2 314.202 2.879 10 0 DFAELP NC(=[NH2+])CC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000042547782 183283163 /nfs/dbraw/zinc/28/31/63/183283163.db2.gz HDQSBESEBOEUIP-UHFFFAOYSA-N 2 2 314.202 2.879 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616602861 399488278 /nfs/dbraw/zinc/48/82/78/399488278.db2.gz RNXVHAUSFFCSRW-ZDUSSCGKSA-N 2 2 308.426 2.504 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616602861 399488280 /nfs/dbraw/zinc/48/82/80/399488280.db2.gz RNXVHAUSFFCSRW-ZDUSSCGKSA-N 2 2 308.426 2.504 10 0 DFAELP CCOc1c(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)nn1CC(C)C ZINC000261609230 146245826 /nfs/dbraw/zinc/24/58/26/146245826.db2.gz BSSMEPYHYLSPOZ-INIZCTEOSA-N 2 2 322.497 2.805 10 0 DFAELP CCOc1c(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)nn1CC(C)C ZINC000261609230 146245829 /nfs/dbraw/zinc/24/58/29/146245829.db2.gz BSSMEPYHYLSPOZ-INIZCTEOSA-N 2 2 322.497 2.805 10 0 DFAELP CC1(C)C[N@H+](Cc2csc(-c3ccccn3)n2)CC[C@@H]1[NH3+] ZINC000261772061 146273542 /nfs/dbraw/zinc/27/35/42/146273542.db2.gz WEKQOPIAGZNARB-AWEZNQCLSA-N 2 2 302.447 2.764 10 0 DFAELP CC1(C)C[N@@H+](Cc2csc(-c3ccccn3)n2)CC[C@@H]1[NH3+] ZINC000261772061 146273543 /nfs/dbraw/zinc/27/35/43/146273543.db2.gz WEKQOPIAGZNARB-AWEZNQCLSA-N 2 2 302.447 2.764 10 0 DFAELP CCOc1c(OC)cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261835637 146285847 /nfs/dbraw/zinc/28/58/47/146285847.db2.gz ZDBIYMRDSWAELB-INIZCTEOSA-N 2 2 322.449 2.662 10 0 DFAELP CCOc1c(OC)cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261835637 146285849 /nfs/dbraw/zinc/28/58/49/146285849.db2.gz ZDBIYMRDSWAELB-INIZCTEOSA-N 2 2 322.449 2.662 10 0 DFAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261863882 146290957 /nfs/dbraw/zinc/29/09/57/146290957.db2.gz SLHOTOKWCAGUOL-SMDDNHRTSA-N 2 2 309.841 2.726 10 0 DFAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261863882 146290959 /nfs/dbraw/zinc/29/09/59/146290959.db2.gz SLHOTOKWCAGUOL-SMDDNHRTSA-N 2 2 309.841 2.726 10 0 DFAELP Cc1nc(COc2ccc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)cs1 ZINC000262019096 146323932 /nfs/dbraw/zinc/32/39/32/146323932.db2.gz NADMSHCEJVKXCB-SJKOYZFVSA-N 2 2 317.458 2.810 10 0 DFAELP Cc1nc(COc2ccc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)cs1 ZINC000262019096 146323934 /nfs/dbraw/zinc/32/39/34/146323934.db2.gz NADMSHCEJVKXCB-SJKOYZFVSA-N 2 2 317.458 2.810 10 0 DFAELP COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1OC(F)F ZINC000262527302 146368488 /nfs/dbraw/zinc/36/84/88/146368488.db2.gz PBNLHBMETQLESL-DGCLKSJQSA-N 2 2 314.376 2.856 10 0 DFAELP COc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1OC(F)F ZINC000262527302 146368492 /nfs/dbraw/zinc/36/84/92/146368492.db2.gz PBNLHBMETQLESL-DGCLKSJQSA-N 2 2 314.376 2.856 10 0 DFAELP Cc1sc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nc1C(C)C ZINC000261885334 279283609 /nfs/dbraw/zinc/28/36/09/279283609.db2.gz FTXCNZZGABBERL-KFWWJZLASA-N 2 2 323.506 2.822 10 0 DFAELP COc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])ccc1OC(F)F ZINC000262527299 536766498 /nfs/dbraw/zinc/76/64/98/536766498.db2.gz PBNLHBMETQLESL-AAEUAGOBSA-N 2 2 314.376 2.856 10 0 DFAELP COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])ccc1OC(F)F ZINC000262527299 536766502 /nfs/dbraw/zinc/76/65/02/536766502.db2.gz PBNLHBMETQLESL-AAEUAGOBSA-N 2 2 314.376 2.856 10 0 DFAELP CCC[C@](C)([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000262694674 203384202 /nfs/dbraw/zinc/38/42/02/203384202.db2.gz CKKRIUIWJGRTKH-HNNXBMFYSA-N 2 2 306.797 2.982 10 0 DFAELP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)CCC3CCCC3)C2)CC1 ZINC000020542626 182229503 /nfs/dbraw/zinc/22/95/03/182229503.db2.gz VZTRHOCXGFPNSM-QGZVFWFLSA-N 2 2 321.509 2.632 10 0 DFAELP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)CCC3CCCC3)C2)CC1 ZINC000020542626 182229504 /nfs/dbraw/zinc/22/95/04/182229504.db2.gz VZTRHOCXGFPNSM-QGZVFWFLSA-N 2 2 321.509 2.632 10 0 DFAELP CC[N@@H+]([C@@H](C[NH3+])c1ccc(Br)cc1)[C@@H](C)COC ZINC000042743778 183304305 /nfs/dbraw/zinc/30/43/05/183304305.db2.gz CZIFVMZZSIUERJ-FZMZJTMJSA-N 2 2 315.255 2.806 10 0 DFAELP CC[N@H+]([C@@H](C[NH3+])c1ccc(Br)cc1)[C@@H](C)COC ZINC000042743778 183304308 /nfs/dbraw/zinc/30/43/08/183304308.db2.gz CZIFVMZZSIUERJ-FZMZJTMJSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](CC)CCO ZINC000042953990 183322131 /nfs/dbraw/zinc/32/21/31/183322131.db2.gz IYCGPBBTAOEEOD-UONOGXRCSA-N 2 2 315.255 2.542 10 0 DFAELP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](CC)CCO ZINC000042953990 183322134 /nfs/dbraw/zinc/32/21/34/183322134.db2.gz IYCGPBBTAOEEOD-UONOGXRCSA-N 2 2 315.255 2.542 10 0 DFAELP CCCC[N@H+](CCO)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021370 183329688 /nfs/dbraw/zinc/32/96/88/183329688.db2.gz RUJYQICXRJRYQH-AWEZNQCLSA-N 2 2 315.255 2.543 10 0 DFAELP CCCC[N@@H+](CCO)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021370 183329689 /nfs/dbraw/zinc/32/96/89/183329689.db2.gz RUJYQICXRJRYQH-AWEZNQCLSA-N 2 2 315.255 2.543 10 0 DFAELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cc(Br)ccc1F ZINC000062802786 184253774 /nfs/dbraw/zinc/25/37/74/184253774.db2.gz TXBGZYISHHYXEU-SECBINFHSA-N 2 2 312.186 2.723 10 0 DFAELP C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261603127 146243799 /nfs/dbraw/zinc/24/37/99/146243799.db2.gz ADYBTDBXUUGBDE-YVEFUNNKSA-N 2 2 318.396 2.531 10 0 DFAELP C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261603127 146243801 /nfs/dbraw/zinc/24/38/01/146243801.db2.gz ADYBTDBXUUGBDE-YVEFUNNKSA-N 2 2 318.396 2.531 10 0 DFAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(Cl)cc1 ZINC000261605037 146245201 /nfs/dbraw/zinc/24/52/01/146245201.db2.gz AZILONPMWSALIH-DOMZBBRYSA-N 2 2 323.868 2.576 10 0 DFAELP C[C@@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(Cl)cc1 ZINC000261605037 146245205 /nfs/dbraw/zinc/24/52/05/146245205.db2.gz AZILONPMWSALIH-DOMZBBRYSA-N 2 2 323.868 2.576 10 0 DFAELP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc(Cl)c1OC ZINC000261658728 146254909 /nfs/dbraw/zinc/25/49/09/146254909.db2.gz HZYMDUFNOPJYJG-CQSZACIVSA-N 2 2 312.841 2.916 10 0 DFAELP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc(Cl)c1OC ZINC000261658728 146254912 /nfs/dbraw/zinc/25/49/12/146254912.db2.gz HZYMDUFNOPJYJG-CQSZACIVSA-N 2 2 312.841 2.916 10 0 DFAELP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261656515 146255031 /nfs/dbraw/zinc/25/50/31/146255031.db2.gz HWLILLZBJJQNTK-WFASDCNBSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261656515 146255034 /nfs/dbraw/zinc/25/50/34/146255034.db2.gz HWLILLZBJJQNTK-WFASDCNBSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261779768 146275158 /nfs/dbraw/zinc/27/51/58/146275158.db2.gz TVULXHTYSVTHQY-GOEBONIOSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261779768 146275163 /nfs/dbraw/zinc/27/51/63/146275163.db2.gz TVULXHTYSVTHQY-GOEBONIOSA-N 2 2 303.450 2.690 10 0 DFAELP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261845421 146286982 /nfs/dbraw/zinc/28/69/82/146286982.db2.gz QYRLICBWRFOAMQ-BBRMVZONSA-N 2 2 303.450 2.635 10 0 DFAELP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261845421 146286983 /nfs/dbraw/zinc/28/69/83/146286983.db2.gz QYRLICBWRFOAMQ-BBRMVZONSA-N 2 2 303.450 2.635 10 0 DFAELP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261841709 146287006 /nfs/dbraw/zinc/28/70/06/146287006.db2.gz ZWSXMYCVCQWFRA-AWEZNQCLSA-N 2 2 306.841 2.786 10 0 DFAELP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261841709 146287008 /nfs/dbraw/zinc/28/70/08/146287008.db2.gz ZWSXMYCVCQWFRA-AWEZNQCLSA-N 2 2 306.841 2.786 10 0 DFAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261863874 146290970 /nfs/dbraw/zinc/29/09/70/146290970.db2.gz SLHOTOKWCAGUOL-FZMZJTMJSA-N 2 2 309.841 2.726 10 0 DFAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261863874 146290972 /nfs/dbraw/zinc/29/09/72/146290972.db2.gz SLHOTOKWCAGUOL-FZMZJTMJSA-N 2 2 309.841 2.726 10 0 DFAELP Cc1nc(COc2ccc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2)cs1 ZINC000262019086 146323804 /nfs/dbraw/zinc/32/38/04/146323804.db2.gz NADMSHCEJVKXCB-PXAZEXFGSA-N 2 2 317.458 2.810 10 0 DFAELP Cc1nc(COc2ccc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2)cs1 ZINC000262019086 146323806 /nfs/dbraw/zinc/32/38/06/146323806.db2.gz NADMSHCEJVKXCB-PXAZEXFGSA-N 2 2 317.458 2.810 10 0 DFAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000262583725 146375378 /nfs/dbraw/zinc/37/53/78/146375378.db2.gz ZKBDLXUUUJZPHL-OAHLLOKOSA-N 2 2 303.450 2.610 10 0 DFAELP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000262583725 146375382 /nfs/dbraw/zinc/37/53/82/146375382.db2.gz ZKBDLXUUUJZPHL-OAHLLOKOSA-N 2 2 303.450 2.610 10 0 DFAELP CO[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2C)[C@@H](C[NH3+])C1 ZINC000261959774 277292694 /nfs/dbraw/zinc/29/26/94/277292694.db2.gz PBNHTUOVSPMDFR-HUUCEWRRSA-N 2 2 316.367 2.952 10 0 DFAELP CO[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2C)[C@@H](C[NH3+])C1 ZINC000261959774 277292696 /nfs/dbraw/zinc/29/26/96/277292696.db2.gz PBNHTUOVSPMDFR-HUUCEWRRSA-N 2 2 316.367 2.952 10 0 DFAELP CC1(C)C[N@H+](CC(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000261915898 535354210 /nfs/dbraw/zinc/35/42/10/535354210.db2.gz YCRSOWXSZCRSDZ-QGZVFWFLSA-N 2 2 311.429 2.838 10 0 DFAELP CC1(C)C[N@@H+](CC(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000261915898 535354213 /nfs/dbraw/zinc/35/42/13/535354213.db2.gz YCRSOWXSZCRSDZ-QGZVFWFLSA-N 2 2 311.429 2.838 10 0 DFAELP CC[N@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226367 182198761 /nfs/dbraw/zinc/19/87/61/182198761.db2.gz HPMSRXGOTJVNDM-QGZVFWFLSA-N 2 2 312.413 2.980 10 0 DFAELP CC[N@@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226367 182198764 /nfs/dbraw/zinc/19/87/64/182198764.db2.gz HPMSRXGOTJVNDM-QGZVFWFLSA-N 2 2 312.413 2.980 10 0 DFAELP CC[N@H+](CCC(N)=[NH2+])Cc1cc(Br)ccc1OC ZINC000042452867 183272013 /nfs/dbraw/zinc/27/20/13/183272013.db2.gz ZMBAFUQROGKWOP-UHFFFAOYSA-N 2 2 314.227 2.606 10 0 DFAELP CC[N@@H+](CCC(N)=[NH2+])Cc1cc(Br)ccc1OC ZINC000042452867 183272015 /nfs/dbraw/zinc/27/20/15/183272015.db2.gz ZMBAFUQROGKWOP-UHFFFAOYSA-N 2 2 314.227 2.606 10 0 DFAELP CCCC[N@H+](CCO)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043021371 183329363 /nfs/dbraw/zinc/32/93/63/183329363.db2.gz RUJYQICXRJRYQH-CQSZACIVSA-N 2 2 315.255 2.543 10 0 DFAELP CCCC[N@@H+](CCO)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043021371 183329364 /nfs/dbraw/zinc/32/93/64/183329364.db2.gz RUJYQICXRJRYQH-CQSZACIVSA-N 2 2 315.255 2.543 10 0 DFAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)CCOC ZINC000043021247 183329473 /nfs/dbraw/zinc/32/94/73/183329473.db2.gz PAAHNMWQDVIFKB-KGLIPLIRSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)CCOC ZINC000043021247 183329475 /nfs/dbraw/zinc/32/94/75/183329475.db2.gz PAAHNMWQDVIFKB-KGLIPLIRSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](CC)CCO ZINC000043021022 183329996 /nfs/dbraw/zinc/32/99/96/183329996.db2.gz FMYCXPSDYSMTTF-ZIAGYGMSSA-N 2 2 315.255 2.542 10 0 DFAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](CC)CCO ZINC000043021022 183329997 /nfs/dbraw/zinc/32/99/97/183329997.db2.gz FMYCXPSDYSMTTF-ZIAGYGMSSA-N 2 2 315.255 2.542 10 0 DFAELP CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CC[N@H+](CC[NH3+])C1 ZINC000616628097 399491358 /nfs/dbraw/zinc/49/13/58/399491358.db2.gz YXEHWJUUHPVJED-CQSZACIVSA-N 2 2 319.449 2.806 10 0 DFAELP CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000616628097 399491362 /nfs/dbraw/zinc/49/13/62/399491362.db2.gz YXEHWJUUHPVJED-CQSZACIVSA-N 2 2 319.449 2.806 10 0 DFAELP COc1cc2c(c(C[N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)c1)O[C@H](C)C2 ZINC000261645470 146252311 /nfs/dbraw/zinc/25/23/11/146252311.db2.gz GRUACHQDIOMPDZ-WBMJQRKESA-N 2 2 304.434 2.578 10 0 DFAELP COc1cc2c(c(C[N@H+]3CC[C@H]([NH3+])C(C)(C)C3)c1)O[C@H](C)C2 ZINC000261645470 146252312 /nfs/dbraw/zinc/25/23/12/146252312.db2.gz GRUACHQDIOMPDZ-WBMJQRKESA-N 2 2 304.434 2.578 10 0 DFAELP CC1(C)C[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000261781713 146276058 /nfs/dbraw/zinc/27/60/58/146276058.db2.gz UBLTYVOXFPZIMW-CYBMUJFWSA-N 2 2 302.340 2.986 10 0 DFAELP CC1(C)C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000261781713 146276061 /nfs/dbraw/zinc/27/60/61/146276061.db2.gz UBLTYVOXFPZIMW-CYBMUJFWSA-N 2 2 302.340 2.986 10 0 DFAELP Cc1ccn2c(CN3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)c[nH+]c2c1 ZINC000261819424 146282821 /nfs/dbraw/zinc/28/28/21/146282821.db2.gz XRAJTLDZJDMMDG-ZWKOTPCHSA-N 2 2 306.413 2.569 10 0 DFAELP CC1(C)C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000261831742 146284744 /nfs/dbraw/zinc/28/47/44/146284744.db2.gz QBOORNFIWOSZBB-INIZCTEOSA-N 2 2 302.397 2.571 10 0 DFAELP CC1(C)C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000261831742 146284746 /nfs/dbraw/zinc/28/47/46/146284746.db2.gz QBOORNFIWOSZBB-INIZCTEOSA-N 2 2 302.397 2.571 10 0 DFAELP Cc1cccc(-c2noc(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)n2)c1 ZINC000261841443 146287709 /nfs/dbraw/zinc/28/77/09/146287709.db2.gz ZSUBZYMMHNMNLG-CQSZACIVSA-N 2 2 300.406 2.604 10 0 DFAELP Cc1cccc(-c2noc(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)n2)c1 ZINC000261841443 146287713 /nfs/dbraw/zinc/28/77/13/146287713.db2.gz ZSUBZYMMHNMNLG-CQSZACIVSA-N 2 2 300.406 2.604 10 0 DFAELP CC1(C)C[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@@H]1[NH3+] ZINC000261722417 276135165 /nfs/dbraw/zinc/13/51/65/276135165.db2.gz JJBDMUBUNONWEJ-GJZGRUSLSA-N 2 2 321.852 2.505 10 0 DFAELP CC1(C)C[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@@H]1[NH3+] ZINC000261722417 276135166 /nfs/dbraw/zinc/13/51/66/276135166.db2.gz JJBDMUBUNONWEJ-GJZGRUSLSA-N 2 2 321.852 2.505 10 0 DFAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)CCOC ZINC000043021242 183329750 /nfs/dbraw/zinc/32/97/50/183329750.db2.gz PAAHNMWQDVIFKB-UONOGXRCSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)CCOC ZINC000043021242 183329751 /nfs/dbraw/zinc/32/97/51/183329751.db2.gz PAAHNMWQDVIFKB-UONOGXRCSA-N 2 2 315.255 2.806 10 0 DFAELP CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616613100 399489938 /nfs/dbraw/zinc/48/99/38/399489938.db2.gz XXCHUTBYFDWRBS-HNNXBMFYSA-N 2 2 319.449 2.806 10 0 DFAELP CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616613100 399489941 /nfs/dbraw/zinc/48/99/41/399489941.db2.gz XXCHUTBYFDWRBS-HNNXBMFYSA-N 2 2 319.449 2.806 10 0 DFAELP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261611070 146246761 /nfs/dbraw/zinc/24/67/61/146246761.db2.gz CAMAPDMPMRDNIJ-CQSZACIVSA-N 2 2 306.841 2.786 10 0 DFAELP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261611070 146246764 /nfs/dbraw/zinc/24/67/64/146246764.db2.gz CAMAPDMPMRDNIJ-CQSZACIVSA-N 2 2 306.841 2.786 10 0 DFAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261733312 146268002 /nfs/dbraw/zinc/26/80/02/146268002.db2.gz JZTKOPCQSCENBC-HUUCEWRRSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261733312 146268004 /nfs/dbraw/zinc/26/80/04/146268004.db2.gz JZTKOPCQSCENBC-HUUCEWRRSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1Cl ZINC000261785946 146276316 /nfs/dbraw/zinc/27/63/16/146276316.db2.gz XJOAQCAAGLUMHN-CQSZACIVSA-N 2 2 309.841 2.646 10 0 DFAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1Cl ZINC000261785946 146276317 /nfs/dbraw/zinc/27/63/17/146276317.db2.gz XJOAQCAAGLUMHN-CQSZACIVSA-N 2 2 309.841 2.646 10 0 DFAELP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261848413 146289005 /nfs/dbraw/zinc/28/90/05/146289005.db2.gz RFUDBDQLGWBPRX-SWLSCSKDSA-N 2 2 321.490 2.795 10 0 DFAELP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261848413 146289007 /nfs/dbraw/zinc/28/90/07/146289007.db2.gz RFUDBDQLGWBPRX-SWLSCSKDSA-N 2 2 321.490 2.795 10 0 DFAELP Cc1nc(COc2ccc(C[N@H+]3C[C@H](C)[C@H]([NH3+])C3)cc2)cs1 ZINC000262019101 146323320 /nfs/dbraw/zinc/32/33/20/146323320.db2.gz NADMSHCEJVKXCB-YVEFUNNKSA-N 2 2 317.458 2.810 10 0 DFAELP Cc1nc(COc2ccc(C[N@@H+]3C[C@H](C)[C@H]([NH3+])C3)cc2)cs1 ZINC000262019101 146323322 /nfs/dbraw/zinc/32/33/22/146323322.db2.gz NADMSHCEJVKXCB-YVEFUNNKSA-N 2 2 317.458 2.810 10 0 DFAELP COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])ccc1OC(F)F ZINC000262527309 146368440 /nfs/dbraw/zinc/36/84/40/146368440.db2.gz PBNLHBMETQLESL-YPMHNXCESA-N 2 2 314.376 2.856 10 0 DFAELP COc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])ccc1OC(F)F ZINC000262527309 146368443 /nfs/dbraw/zinc/36/84/43/146368443.db2.gz PBNLHBMETQLESL-YPMHNXCESA-N 2 2 314.376 2.856 10 0 DFAELP c1c[nH+]c(C2CCN(c3nc(C4CC4)[nH+]c4c3CCC4)CC2)[nH]1 ZINC000333418051 268397393 /nfs/dbraw/zinc/39/73/93/268397393.db2.gz HNGOQENXEZAXGA-UHFFFAOYSA-N 2 2 309.417 2.950 10 0 DFAELP CCOc1cc([C@H](C[NH3+])[NH+]2CCCC2)ccc1OC(F)F ZINC000020081542 182185222 /nfs/dbraw/zinc/18/52/22/182185222.db2.gz TWIOUZZJANHXGA-LBPRGKRZSA-N 2 2 300.349 2.782 10 0 DFAELP Nc1c(Nc2cc[nH+]cc2)nc[nH+]c1NCc1ccc(F)cc1 ZINC000040687671 183117916 /nfs/dbraw/zinc/11/79/16/183117916.db2.gz HJQCBGFRSKUXAZ-UHFFFAOYSA-N 2 2 310.336 2.949 10 0 DFAELP C[C@@H](C[N@H+](C)Cc1ccc(F)cc1Br)C(N)=[NH2+] ZINC000042459559 183272593 /nfs/dbraw/zinc/27/25/93/183272593.db2.gz SWFSOCYNHCGLIB-QMMMGPOBSA-N 2 2 302.191 2.592 10 0 DFAELP C[C@@H](C[N@@H+](C)Cc1ccc(F)cc1Br)C(N)=[NH2+] ZINC000042459559 183272594 /nfs/dbraw/zinc/27/25/94/183272594.db2.gz SWFSOCYNHCGLIB-QMMMGPOBSA-N 2 2 302.191 2.592 10 0 DFAELP C[C@H](C[N@H+](C)Cc1ccc(Br)cc1F)C(N)=[NH2+] ZINC000042459800 183272624 /nfs/dbraw/zinc/27/26/24/183272624.db2.gz UPEQKZVJILAKFF-MRVPVSSYSA-N 2 2 302.191 2.592 10 0 DFAELP C[C@H](C[N@@H+](C)Cc1ccc(Br)cc1F)C(N)=[NH2+] ZINC000042459800 183272625 /nfs/dbraw/zinc/27/26/25/183272625.db2.gz UPEQKZVJILAKFF-MRVPVSSYSA-N 2 2 302.191 2.592 10 0 DFAELP CC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042743781 183304789 /nfs/dbraw/zinc/30/47/89/183304789.db2.gz CZIFVMZZSIUERJ-RISCZKNCSA-N 2 2 315.255 2.806 10 0 DFAELP CC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042743781 183304792 /nfs/dbraw/zinc/30/47/92/183304792.db2.gz CZIFVMZZSIUERJ-RISCZKNCSA-N 2 2 315.255 2.806 10 0 DFAELP COC[C@H](C)[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954666 183321437 /nfs/dbraw/zinc/32/14/37/183321437.db2.gz UMKKXTKIAWIDPE-MISXGVKJSA-N 2 2 315.255 2.804 10 0 DFAELP COC[C@H](C)[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954666 183321440 /nfs/dbraw/zinc/32/14/40/183321440.db2.gz UMKKXTKIAWIDPE-MISXGVKJSA-N 2 2 315.255 2.804 10 0 DFAELP CCCC[N@H+](CCO)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042954610 183322233 /nfs/dbraw/zinc/32/22/33/183322233.db2.gz LCFCXXVXVVPIQU-AWEZNQCLSA-N 2 2 315.255 2.543 10 0 DFAELP CCCC[N@@H+](CCO)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042954610 183322235 /nfs/dbraw/zinc/32/22/35/183322235.db2.gz LCFCXXVXVVPIQU-AWEZNQCLSA-N 2 2 315.255 2.543 10 0 DFAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000057399650 184037268 /nfs/dbraw/zinc/03/72/68/184037268.db2.gz JKVRSPDPBZHYAS-JTQLQIEISA-N 2 2 310.195 2.530 10 0 DFAELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(F)cc1Br ZINC000062802815 184253511 /nfs/dbraw/zinc/25/35/11/184253511.db2.gz AHDFYBYAYGVJAZ-VIFPVBQESA-N 2 2 312.186 2.723 10 0 DFAELP C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261603125 146243714 /nfs/dbraw/zinc/24/37/14/146243714.db2.gz ADYBTDBXUUGBDE-SJCJKPOMSA-N 2 2 318.396 2.531 10 0 DFAELP C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261603125 146243719 /nfs/dbraw/zinc/24/37/19/146243719.db2.gz ADYBTDBXUUGBDE-SJCJKPOMSA-N 2 2 318.396 2.531 10 0 DFAELP COc1cc2c(c(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)c1)O[C@H](C)C2 ZINC000261645466 146252120 /nfs/dbraw/zinc/25/21/20/146252120.db2.gz GRUACHQDIOMPDZ-MLGOLLRUSA-N 2 2 304.434 2.578 10 0 DFAELP COc1cc2c(c(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)c1)O[C@H](C)C2 ZINC000261645466 146252123 /nfs/dbraw/zinc/25/21/23/146252123.db2.gz GRUACHQDIOMPDZ-MLGOLLRUSA-N 2 2 304.434 2.578 10 0 DFAELP Cc1ccn2c(CN3CC[NH2+]C[C@@H]3c3cccc(F)c3)c[nH+]c2c1 ZINC000261769422 146273550 /nfs/dbraw/zinc/27/35/50/146273550.db2.gz RYKIQKQLELGJKA-GOSISDBHSA-N 2 2 324.403 2.928 10 0 DFAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261829480 146284506 /nfs/dbraw/zinc/28/45/06/146284506.db2.gz PVRHWMPDVHQGKV-YQQAZPJKSA-N 2 2 317.477 2.620 10 0 DFAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261829480 146284511 /nfs/dbraw/zinc/28/45/11/146284511.db2.gz PVRHWMPDVHQGKV-YQQAZPJKSA-N 2 2 317.477 2.620 10 0 DFAELP Cc1cccc(-c2noc(C[N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)n2)c1 ZINC000261841437 146286998 /nfs/dbraw/zinc/28/69/98/146286998.db2.gz ZSUBZYMMHNMNLG-AWEZNQCLSA-N 2 2 300.406 2.604 10 0 DFAELP Cc1cccc(-c2noc(C[N@H+]3CC[C@H]([NH3+])C(C)(C)C3)n2)c1 ZINC000261841437 146287001 /nfs/dbraw/zinc/28/70/01/146287001.db2.gz ZSUBZYMMHNMNLG-AWEZNQCLSA-N 2 2 300.406 2.604 10 0 DFAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261863871 146290863 /nfs/dbraw/zinc/29/08/63/146290863.db2.gz SLHOTOKWCAGUOL-BXUZGUMPSA-N 2 2 309.841 2.726 10 0 DFAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261863871 146290866 /nfs/dbraw/zinc/29/08/66/146290866.db2.gz SLHOTOKWCAGUOL-BXUZGUMPSA-N 2 2 309.841 2.726 10 0 DFAELP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(SC)cc1OC ZINC000261867029 146292195 /nfs/dbraw/zinc/29/21/95/146292195.db2.gz SPJSZYZDXKEMOR-MRXNPFEDSA-N 2 2 324.490 2.985 10 0 DFAELP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(SC)cc1OC ZINC000261867029 146292197 /nfs/dbraw/zinc/29/21/97/146292197.db2.gz SPJSZYZDXKEMOR-MRXNPFEDSA-N 2 2 324.490 2.985 10 0 DFAELP CO[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000262341873 146352547 /nfs/dbraw/zinc/35/25/47/146352547.db2.gz UKTFTPJFOQQNNM-GXTWGEPZSA-N 2 2 318.339 2.523 10 0 DFAELP CO[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000262341873 146352549 /nfs/dbraw/zinc/35/25/49/146352549.db2.gz UKTFTPJFOQQNNM-GXTWGEPZSA-N 2 2 318.339 2.523 10 0 DFAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1Cl ZINC000262399917 146356854 /nfs/dbraw/zinc/35/68/54/146356854.db2.gz CDVWEICGRMXHNU-IUODEOHRSA-N 2 2 323.868 2.576 10 0 DFAELP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1Cl ZINC000262399917 146356856 /nfs/dbraw/zinc/35/68/56/146356856.db2.gz CDVWEICGRMXHNU-IUODEOHRSA-N 2 2 323.868 2.576 10 0 DFAELP OCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000034239031 425842498 /nfs/dbraw/zinc/84/24/98/425842498.db2.gz MGJRKFUSQGGVSS-AWEZNQCLSA-N 2 2 314.216 2.903 10 0 DFAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262315850 277592376 /nfs/dbraw/zinc/59/23/76/277592376.db2.gz QHGRRHZMBKRZSV-LPHOPBHVSA-N 2 2 302.462 2.708 10 0 DFAELP COc1ccc(CC[C@H]2[NH2+]CCn3c(C)[nH+]c(C)c32)c(OC)c1 ZINC000114149251 398744011 /nfs/dbraw/zinc/74/40/11/398744011.db2.gz WMLZIXPKOSQDFU-MRXNPFEDSA-N 2 2 315.417 2.794 10 0 DFAELP CCCC[N@H+](CCO)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042954613 183321660 /nfs/dbraw/zinc/32/16/60/183321660.db2.gz LCFCXXVXVVPIQU-CQSZACIVSA-N 2 2 315.255 2.543 10 0 DFAELP CCCC[N@@H+](CCO)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042954613 183321661 /nfs/dbraw/zinc/32/16/61/183321661.db2.gz LCFCXXVXVVPIQU-CQSZACIVSA-N 2 2 315.255 2.543 10 0 DFAELP CC[N@H+](C)CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110823108 194362224 /nfs/dbraw/zinc/36/22/24/194362224.db2.gz HOTZNRFVSDMFGV-OAHLLOKOSA-N 2 2 311.267 2.848 10 0 DFAELP CC[N@@H+](C)CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110823108 194362227 /nfs/dbraw/zinc/36/22/27/194362227.db2.gz HOTZNRFVSDMFGV-OAHLLOKOSA-N 2 2 311.267 2.848 10 0 DFAELP Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cc1 ZINC000261877285 292130851 /nfs/dbraw/zinc/13/08/51/292130851.db2.gz UHADFOTWOWILMP-IAGOWNOFSA-N 2 2 315.461 2.550 10 0 DFAELP Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cc1 ZINC000261877285 292130853 /nfs/dbraw/zinc/13/08/53/292130853.db2.gz UHADFOTWOWILMP-IAGOWNOFSA-N 2 2 315.461 2.550 10 0 DFAELP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261611063 146247208 /nfs/dbraw/zinc/24/72/08/146247208.db2.gz CAMAPDMPMRDNIJ-AWEZNQCLSA-N 2 2 306.841 2.786 10 0 DFAELP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261611063 146247211 /nfs/dbraw/zinc/24/72/11/146247211.db2.gz CAMAPDMPMRDNIJ-AWEZNQCLSA-N 2 2 306.841 2.786 10 0 DFAELP COc1cccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1OC(F)F ZINC000261618196 146248576 /nfs/dbraw/zinc/24/85/76/146248576.db2.gz CYKRRBGQNOWFCI-ZDUSSCGKSA-N 2 2 314.376 2.856 10 0 DFAELP COc1cccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1OC(F)F ZINC000261618196 146248579 /nfs/dbraw/zinc/24/85/79/146248579.db2.gz CYKRRBGQNOWFCI-ZDUSSCGKSA-N 2 2 314.376 2.856 10 0 DFAELP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(OC(F)F)c1 ZINC000261626812 146249171 /nfs/dbraw/zinc/24/91/71/146249171.db2.gz DXUKTLKVWOSGLC-AWEZNQCLSA-N 2 2 314.376 2.856 10 0 DFAELP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(OC(F)F)c1 ZINC000261626812 146249175 /nfs/dbraw/zinc/24/91/75/146249175.db2.gz DXUKTLKVWOSGLC-AWEZNQCLSA-N 2 2 314.376 2.856 10 0 DFAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1F ZINC000261667245 146256623 /nfs/dbraw/zinc/25/66/23/146256623.db2.gz ISTRZSOAGRNMBM-WFASDCNBSA-N 2 2 307.413 2.520 10 0 DFAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1F ZINC000261667245 146256627 /nfs/dbraw/zinc/25/66/27/146256627.db2.gz ISTRZSOAGRNMBM-WFASDCNBSA-N 2 2 307.413 2.520 10 0 DFAELP CC1(C)C[N@H+](Cc2c(C3CC3)nc3sccn23)CC[C@H]1[NH3+] ZINC000261769499 146272973 /nfs/dbraw/zinc/27/29/73/146272973.db2.gz SBXQCTMFDBVKAK-CYBMUJFWSA-N 2 2 304.463 2.832 10 0 DFAELP CC1(C)C[N@@H+](Cc2c(C3CC3)nc3sccn23)CC[C@H]1[NH3+] ZINC000261769499 146272976 /nfs/dbraw/zinc/27/29/76/146272976.db2.gz SBXQCTMFDBVKAK-CYBMUJFWSA-N 2 2 304.463 2.832 10 0 DFAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000261835997 146285822 /nfs/dbraw/zinc/28/58/22/146285822.db2.gz QFNCRGSIVUPNOV-HOCLYGCPSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000261835997 146285824 /nfs/dbraw/zinc/28/58/24/146285824.db2.gz QFNCRGSIVUPNOV-HOCLYGCPSA-N 2 2 303.450 2.690 10 0 DFAELP CC1(C)C[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000261957447 146310297 /nfs/dbraw/zinc/31/02/97/146310297.db2.gz OVGYUOCMUOLJBI-KRWDZBQOSA-N 2 2 316.424 2.630 10 0 DFAELP CC1(C)C[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000261957447 146310299 /nfs/dbraw/zinc/31/02/99/146310299.db2.gz OVGYUOCMUOLJBI-KRWDZBQOSA-N 2 2 316.424 2.630 10 0 DFAELP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)s2)o1 ZINC000262111013 146334246 /nfs/dbraw/zinc/33/42/46/146334246.db2.gz WLOARMQOMJDJOI-INIZCTEOSA-N 2 2 303.431 2.897 10 0 DFAELP Cc1ccc(-c2ncc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)s2)o1 ZINC000262111013 146334249 /nfs/dbraw/zinc/33/42/49/146334249.db2.gz WLOARMQOMJDJOI-INIZCTEOSA-N 2 2 303.431 2.897 10 0 DFAELP CC(C)[N@@H+]1CCO[C@H](c2noc([C@@H](C)[NH+]3CCCCCC3)n2)C1 ZINC000328601102 529055830 /nfs/dbraw/zinc/05/58/30/529055830.db2.gz DYGWPGMFEIIYIC-CABCVRRESA-N 2 2 322.453 2.788 10 0 DFAELP CC(C)[N@H+]1CCO[C@H](c2noc([C@@H](C)[NH+]3CCCCCC3)n2)C1 ZINC000328601102 529055837 /nfs/dbraw/zinc/05/58/37/529055837.db2.gz DYGWPGMFEIIYIC-CABCVRRESA-N 2 2 322.453 2.788 10 0 DFAELP Brc1cccc(NCC[NH2+][C@@H]2C[NH+]3CCC2CC3)c1 ZINC000039176517 398558021 /nfs/dbraw/zinc/55/80/21/398558021.db2.gz YFLBLQDXXMMPEC-OAHLLOKOSA-N 2 2 324.266 2.545 10 0 DFAELP CC[N@@H+]([C@@H](C[NH3+])c1cccc(Br)c1)[C@@H](C)COC ZINC000042743267 183304325 /nfs/dbraw/zinc/30/43/25/183304325.db2.gz MXYJQGFPOTWESJ-FZMZJTMJSA-N 2 2 315.255 2.806 10 0 DFAELP CC[N@H+]([C@@H](C[NH3+])c1cccc(Br)c1)[C@@H](C)COC ZINC000042743267 183304327 /nfs/dbraw/zinc/30/43/27/183304327.db2.gz MXYJQGFPOTWESJ-FZMZJTMJSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](C)CCOC ZINC000042954375 183322340 /nfs/dbraw/zinc/32/23/40/183322340.db2.gz FUSCLSMRVZCVJL-UONOGXRCSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCOC ZINC000042954375 183322343 /nfs/dbraw/zinc/32/23/43/183322343.db2.gz FUSCLSMRVZCVJL-UONOGXRCSA-N 2 2 315.255 2.806 10 0 DFAELP CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616614854 399490012 /nfs/dbraw/zinc/49/00/12/399490012.db2.gz XXCHUTBYFDWRBS-OAHLLOKOSA-N 2 2 319.449 2.806 10 0 DFAELP CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616614854 399490015 /nfs/dbraw/zinc/49/00/15/399490015.db2.gz XXCHUTBYFDWRBS-OAHLLOKOSA-N 2 2 319.449 2.806 10 0 DFAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261667416 146256728 /nfs/dbraw/zinc/25/67/28/146256728.db2.gz IVFRSSUMMCWLSC-GDBMZVCRSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261667416 146256730 /nfs/dbraw/zinc/25/67/30/146256730.db2.gz IVFRSSUMMCWLSC-GDBMZVCRSA-N 2 2 303.450 2.690 10 0 DFAELP CO[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000262341884 146352172 /nfs/dbraw/zinc/35/21/72/146352172.db2.gz UKTFTPJFOQQNNM-JSGCOSHPSA-N 2 2 318.339 2.523 10 0 DFAELP CO[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000262341884 146352174 /nfs/dbraw/zinc/35/21/74/146352174.db2.gz UKTFTPJFOQQNNM-JSGCOSHPSA-N 2 2 318.339 2.523 10 0 DFAELP COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1OC(F)F ZINC000262582437 146374832 /nfs/dbraw/zinc/37/48/32/146374832.db2.gz ZEPHFVVYIYBPMR-DGCLKSJQSA-N 2 2 314.376 2.856 10 0 DFAELP COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1OC(F)F ZINC000262582437 146374835 /nfs/dbraw/zinc/37/48/35/146374835.db2.gz ZEPHFVVYIYBPMR-DGCLKSJQSA-N 2 2 314.376 2.856 10 0 DFAELP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000253560674 427217350 /nfs/dbraw/zinc/21/73/50/427217350.db2.gz BBWLBNDXTFGBQC-HOTGVXAUSA-N 2 2 319.449 2.676 10 0 DFAELP CC1(C)C[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@H]1[NH3+] ZINC000261722418 278340559 /nfs/dbraw/zinc/34/05/59/278340559.db2.gz JJBDMUBUNONWEJ-HUUCEWRRSA-N 2 2 321.852 2.505 10 0 DFAELP CC1(C)C[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@H]1[NH3+] ZINC000261722418 278340561 /nfs/dbraw/zinc/34/05/61/278340561.db2.gz JJBDMUBUNONWEJ-HUUCEWRRSA-N 2 2 321.852 2.505 10 0 DFAELP CC(C)[N@@H+]1CCO[C@@H](c2noc([C@H](C)[NH+]3CCCCCC3)n2)C1 ZINC000328601105 529050246 /nfs/dbraw/zinc/05/02/46/529050246.db2.gz DYGWPGMFEIIYIC-LSDHHAIUSA-N 2 2 322.453 2.788 10 0 DFAELP CC(C)[N@H+]1CCO[C@@H](c2noc([C@H](C)[NH+]3CCCCCC3)n2)C1 ZINC000328601105 529050249 /nfs/dbraw/zinc/05/02/49/529050249.db2.gz DYGWPGMFEIIYIC-LSDHHAIUSA-N 2 2 322.453 2.788 10 0 DFAELP CC(C)[N@@H+]1CCO[C@H](c2noc([C@H](C)[NH+]3CCCCCC3)n2)C1 ZINC000328601103 529056840 /nfs/dbraw/zinc/05/68/40/529056840.db2.gz DYGWPGMFEIIYIC-GJZGRUSLSA-N 2 2 322.453 2.788 10 0 DFAELP CC(C)[N@H+]1CCO[C@H](c2noc([C@H](C)[NH+]3CCCCCC3)n2)C1 ZINC000328601103 529056846 /nfs/dbraw/zinc/05/68/46/529056846.db2.gz DYGWPGMFEIIYIC-GJZGRUSLSA-N 2 2 322.453 2.788 10 0 DFAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261662873 535880824 /nfs/dbraw/zinc/88/08/24/535880824.db2.gz FUOPLIWKVSOATI-INIZCTEOSA-N 2 2 317.477 2.809 10 0 DFAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261662873 535880828 /nfs/dbraw/zinc/88/08/28/535880828.db2.gz FUOPLIWKVSOATI-INIZCTEOSA-N 2 2 317.477 2.809 10 0 DFAELP CCCCCCCCCCCC[NH2+]CCNCC[NH2+]CC[NH3+] ZINC000138304669 398877558 /nfs/dbraw/zinc/87/75/58/398877558.db2.gz DWZJYSSNBXBMLS-UHFFFAOYSA-N 3 2 314.562 2.635 10 0 DFAELP CCCCCCCCCCCC[NH2+]CC[NH2+]CCNCC[NH3+] ZINC000138304669 398877561 /nfs/dbraw/zinc/87/75/61/398877561.db2.gz DWZJYSSNBXBMLS-UHFFFAOYSA-N 3 2 314.562 2.635 10 0 DFAELP C[NH+](C)CC1CC[NH+](CC(=O)c2ccc(Cl)s2)CC1 ZINC000042395505 183263263 /nfs/dbraw/zinc/26/32/63/183263263.db2.gz AQHDJVCVFNEQOQ-UHFFFAOYSA-N 2 2 300.855 2.858 10 0 DFAELP CC(C)[N@H+](CCCO)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021738 183329877 /nfs/dbraw/zinc/32/98/77/183329877.db2.gz MCASGTGZWUZSDU-AWEZNQCLSA-N 2 2 315.255 2.542 10 0 DFAELP CC(C)[N@@H+](CCCO)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021738 183329878 /nfs/dbraw/zinc/32/98/78/183329878.db2.gz MCASGTGZWUZSDU-AWEZNQCLSA-N 2 2 315.255 2.542 10 0 DFAELP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000062702776 184248108 /nfs/dbraw/zinc/24/81/08/184248108.db2.gz BSOUVCYLUQXVCU-JTQLQIEISA-N 2 2 301.228 2.585 10 0 DFAELP CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616614546 399489882 /nfs/dbraw/zinc/48/98/82/399489882.db2.gz OKVDBKLERANYLM-OAHLLOKOSA-N 2 2 319.449 2.806 10 0 DFAELP CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616614546 399489884 /nfs/dbraw/zinc/48/98/84/399489884.db2.gz OKVDBKLERANYLM-OAHLLOKOSA-N 2 2 319.449 2.806 10 0 DFAELP CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261770375 146273708 /nfs/dbraw/zinc/27/37/08/146273708.db2.gz MIKUEYNWFIKBGY-MRXNPFEDSA-N 2 2 317.477 2.982 10 0 DFAELP CC(C)(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261770375 146273711 /nfs/dbraw/zinc/27/37/11/146273711.db2.gz MIKUEYNWFIKBGY-MRXNPFEDSA-N 2 2 317.477 2.982 10 0 DFAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261829486 146284368 /nfs/dbraw/zinc/28/43/68/146284368.db2.gz PVRHWMPDVHQGKV-ZMSDIMECSA-N 2 2 317.477 2.620 10 0 DFAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261829486 146284370 /nfs/dbraw/zinc/28/43/70/146284370.db2.gz PVRHWMPDVHQGKV-ZMSDIMECSA-N 2 2 317.477 2.620 10 0 DFAELP OCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000034239030 425842719 /nfs/dbraw/zinc/84/27/19/425842719.db2.gz MGJRKFUSQGGVSS-CQSZACIVSA-N 2 2 314.216 2.903 10 0 DFAELP Cc1sc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nc1C(C)C ZINC000261885339 279283533 /nfs/dbraw/zinc/28/35/33/279283533.db2.gz FTXCNZZGABBERL-RRFJBIMHSA-N 2 2 323.506 2.822 10 0 DFAELP COc1ccc(-c2cnc(C[N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)o2)cc1 ZINC000261764099 536495084 /nfs/dbraw/zinc/49/50/84/536495084.db2.gz LXRGCOHBCIJXKA-INIZCTEOSA-N 2 2 315.417 2.909 10 0 DFAELP COc1ccc(-c2cnc(C[N@H+]3CC[C@H]([NH3+])C(C)(C)C3)o2)cc1 ZINC000261764099 536495090 /nfs/dbraw/zinc/49/50/90/536495090.db2.gz LXRGCOHBCIJXKA-INIZCTEOSA-N 2 2 315.417 2.909 10 0 DFAELP COc1ccc(-c2cnc(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)o2)cc1 ZINC000261764101 536495396 /nfs/dbraw/zinc/49/53/96/536495396.db2.gz LXRGCOHBCIJXKA-MRXNPFEDSA-N 2 2 315.417 2.909 10 0 DFAELP COc1ccc(-c2cnc(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)o2)cc1 ZINC000261764101 536495402 /nfs/dbraw/zinc/49/54/02/536495402.db2.gz LXRGCOHBCIJXKA-MRXNPFEDSA-N 2 2 315.417 2.909 10 0 DFAELP Cc1cc(N2CCC[NH2+]CC2)nc(-c2cccc(Cl)c2)[nH+]1 ZINC000070451978 190894940 /nfs/dbraw/zinc/89/49/40/190894940.db2.gz ARAKLEKIWUWONA-UHFFFAOYSA-N 2 2 302.809 2.905 10 0 DFAELP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000262694675 203383576 /nfs/dbraw/zinc/38/35/76/203383576.db2.gz CKKRIUIWJGRTKH-OAHLLOKOSA-N 2 2 306.797 2.982 10 0 DFAELP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226366 182198696 /nfs/dbraw/zinc/19/86/96/182198696.db2.gz HPMSRXGOTJVNDM-KRWDZBQOSA-N 2 2 312.413 2.980 10 0 DFAELP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226366 182198698 /nfs/dbraw/zinc/19/86/98/182198698.db2.gz HPMSRXGOTJVNDM-KRWDZBQOSA-N 2 2 312.413 2.980 10 0 DFAELP C[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3Br)C2)C1 ZINC000042545547 183282913 /nfs/dbraw/zinc/28/29/13/183282913.db2.gz OHIYCZRUPRTBNO-CPCZMJQVSA-N 2 2 309.251 2.989 10 0 DFAELP C[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3Br)C2)C1 ZINC000042545547 183282917 /nfs/dbraw/zinc/28/29/17/183282917.db2.gz OHIYCZRUPRTBNO-CPCZMJQVSA-N 2 2 309.251 2.989 10 0 DFAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](CC)CCO ZINC000043021021 183330114 /nfs/dbraw/zinc/33/01/14/183330114.db2.gz FMYCXPSDYSMTTF-UONOGXRCSA-N 2 2 315.255 2.542 10 0 DFAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](CC)CCO ZINC000043021021 183330116 /nfs/dbraw/zinc/33/01/16/183330116.db2.gz FMYCXPSDYSMTTF-UONOGXRCSA-N 2 2 315.255 2.542 10 0 DFAELP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000057942794 184063207 /nfs/dbraw/zinc/06/32/07/184063207.db2.gz WEJOBDFGJPPLSG-UHFFFAOYSA-N 2 2 315.255 2.832 10 0 DFAELP CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CC[N@H+](CC[NH3+])C1 ZINC000616614358 399490265 /nfs/dbraw/zinc/49/02/65/399490265.db2.gz KTJHNDMGGFHSQY-CYBMUJFWSA-N 2 2 305.422 2.782 10 0 DFAELP CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000616614358 399490267 /nfs/dbraw/zinc/49/02/67/399490267.db2.gz KTJHNDMGGFHSQY-CYBMUJFWSA-N 2 2 305.422 2.782 10 0 DFAELP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000261580405 146242199 /nfs/dbraw/zinc/24/21/99/146242199.db2.gz QALUUUJMDCAMQK-KGLIPLIRSA-N 2 2 309.251 2.799 10 0 DFAELP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000261580405 146242205 /nfs/dbraw/zinc/24/22/05/146242205.db2.gz QALUUUJMDCAMQK-KGLIPLIRSA-N 2 2 309.251 2.799 10 0 DFAELP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000261580406 146242746 /nfs/dbraw/zinc/24/27/46/146242746.db2.gz QALUUUJMDCAMQK-UONOGXRCSA-N 2 2 309.251 2.799 10 0 DFAELP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000261580406 146242748 /nfs/dbraw/zinc/24/27/48/146242748.db2.gz QALUUUJMDCAMQK-UONOGXRCSA-N 2 2 309.251 2.799 10 0 DFAELP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261603124 146244345 /nfs/dbraw/zinc/24/43/45/146244345.db2.gz ADYBTDBXUUGBDE-PXAZEXFGSA-N 2 2 318.396 2.531 10 0 DFAELP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261603124 146244348 /nfs/dbraw/zinc/24/43/48/146244348.db2.gz ADYBTDBXUUGBDE-PXAZEXFGSA-N 2 2 318.396 2.531 10 0 DFAELP CC1(C)C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000261763616 146272468 /nfs/dbraw/zinc/27/24/68/146272468.db2.gz VDFVIKPLXNRCFV-CQSZACIVSA-N 2 2 310.825 2.670 10 0 DFAELP CC1(C)C[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000261763616 146272470 /nfs/dbraw/zinc/27/24/70/146272470.db2.gz VDFVIKPLXNRCFV-CQSZACIVSA-N 2 2 310.825 2.670 10 0 DFAELP CCC[N@H+](CC(C)(C)[NH3+])C1CCN(C(=O)c2ccccc2)CC1 ZINC000261770258 146273774 /nfs/dbraw/zinc/27/37/74/146273774.db2.gz DPGIBJYSHXTGLM-UHFFFAOYSA-N 2 2 317.477 2.741 10 0 DFAELP CCC[N@@H+](CC(C)(C)[NH3+])C1CCN(C(=O)c2ccccc2)CC1 ZINC000261770258 146273777 /nfs/dbraw/zinc/27/37/77/146273777.db2.gz DPGIBJYSHXTGLM-UHFFFAOYSA-N 2 2 317.477 2.741 10 0 DFAELP CC1(C)C[N@H+](Cc2ccnn2-c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000261778109 146274360 /nfs/dbraw/zinc/27/43/60/146274360.db2.gz FGZBOQXPVJAMNY-MRXNPFEDSA-N 2 2 302.397 2.571 10 0 DFAELP CC1(C)C[N@@H+](Cc2ccnn2-c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000261778109 146274364 /nfs/dbraw/zinc/27/43/64/146274364.db2.gz FGZBOQXPVJAMNY-MRXNPFEDSA-N 2 2 302.397 2.571 10 0 DFAELP COc1cc2c(c(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)c1)O[C@@H](C)C2 ZINC000261645459 277390277 /nfs/dbraw/zinc/39/02/77/277390277.db2.gz GRUACHQDIOMPDZ-BLLLJJGKSA-N 2 2 304.434 2.578 10 0 DFAELP COc1cc2c(c(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)c1)O[C@@H](C)C2 ZINC000261645459 277390278 /nfs/dbraw/zinc/39/02/78/277390278.db2.gz GRUACHQDIOMPDZ-BLLLJJGKSA-N 2 2 304.434 2.578 10 0 DFAELP COc1cc([C@@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc(OC)c1OC ZINC000039789186 183021483 /nfs/dbraw/zinc/02/14/83/183021483.db2.gz LGIZUWDSKFCNMR-VNHYZAJKSA-N 2 2 322.449 2.975 10 0 DFAELP COc1cc([C@@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc(OC)c1OC ZINC000039789186 183021486 /nfs/dbraw/zinc/02/14/86/183021486.db2.gz LGIZUWDSKFCNMR-VNHYZAJKSA-N 2 2 322.449 2.975 10 0 DFAELP CC[N@@H+](Cc1ccc(Br)cc1F)C[C@@H](C)C(N)=[NH2+] ZINC000042445944 183272185 /nfs/dbraw/zinc/27/21/85/183272185.db2.gz LAGTVJGQFLHKRS-SECBINFHSA-N 2 2 316.218 2.982 10 0 DFAELP CC[N@H+](Cc1ccc(Br)cc1F)C[C@@H](C)C(N)=[NH2+] ZINC000042445944 183272187 /nfs/dbraw/zinc/27/21/87/183272187.db2.gz LAGTVJGQFLHKRS-SECBINFHSA-N 2 2 316.218 2.982 10 0 DFAELP C[C@@H](c1ccc(F)c(Br)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000061689608 184183054 /nfs/dbraw/zinc/18/30/54/184183054.db2.gz GDUCSMBXQGMISF-VHSXEESVSA-N 2 2 301.203 2.930 10 0 DFAELP C[C@@H](c1ccc(F)c(Br)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000061689608 184183056 /nfs/dbraw/zinc/18/30/56/184183056.db2.gz GDUCSMBXQGMISF-VHSXEESVSA-N 2 2 301.203 2.930 10 0 DFAELP c1csc(CC[NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000063133965 184272885 /nfs/dbraw/zinc/27/28/85/184272885.db2.gz HWEFHXGYYPLYBX-INIZCTEOSA-N 2 2 301.459 2.592 10 0 DFAELP c1csc(CC[NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000063133965 184272887 /nfs/dbraw/zinc/27/28/87/184272887.db2.gz HWEFHXGYYPLYBX-INIZCTEOSA-N 2 2 301.459 2.592 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2c[nH]c[nH+]2)CC1 ZINC000616628747 399491588 /nfs/dbraw/zinc/49/15/88/399491588.db2.gz QNBUNEPYPPDILQ-ZDUSSCGKSA-N 2 2 308.426 2.504 10 0 DFAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](c2c[nH]c[nH+]2)CC1 ZINC000616628747 399491591 /nfs/dbraw/zinc/49/15/91/399491591.db2.gz QNBUNEPYPPDILQ-ZDUSSCGKSA-N 2 2 308.426 2.504 10 0 DFAELP CC(C)(C)OC(=O)Nc1cccc([C@@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616614799 399490400 /nfs/dbraw/zinc/49/04/00/399490400.db2.gz VKBFXERVRQREFT-CQSZACIVSA-N 2 2 305.422 2.782 10 0 DFAELP CC(C)(C)OC(=O)Nc1cccc([C@@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616614799 399490405 /nfs/dbraw/zinc/49/04/05/399490405.db2.gz VKBFXERVRQREFT-CQSZACIVSA-N 2 2 305.422 2.782 10 0 DFAELP CC1(C)C[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)CC[C@H]1[NH3+] ZINC000261662739 146256828 /nfs/dbraw/zinc/25/68/28/146256828.db2.gz FTDDTVVWPOUSKR-MRXNPFEDSA-N 2 2 302.397 2.571 10 0 DFAELP CC1(C)C[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)CC[C@H]1[NH3+] ZINC000261662739 146256830 /nfs/dbraw/zinc/25/68/30/146256830.db2.gz FTDDTVVWPOUSKR-MRXNPFEDSA-N 2 2 302.397 2.571 10 0 DFAELP CC1(C)C[N@H+](Cc2cnc(-c3ccccn3)s2)CC[C@H]1[NH3+] ZINC000261678478 146258480 /nfs/dbraw/zinc/25/84/80/146258480.db2.gz JVBPEQBBTSJNKZ-CQSZACIVSA-N 2 2 302.447 2.764 10 0 DFAELP CC1(C)C[N@@H+](Cc2cnc(-c3ccccn3)s2)CC[C@H]1[NH3+] ZINC000261678478 146258485 /nfs/dbraw/zinc/25/84/85/146258485.db2.gz JVBPEQBBTSJNKZ-CQSZACIVSA-N 2 2 302.447 2.764 10 0 DFAELP CC(C)[C@@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261822860 146283127 /nfs/dbraw/zinc/28/31/27/146283127.db2.gz PNUQARVOKLZYTJ-FUHWJXTLSA-N 2 2 317.477 2.559 10 0 DFAELP CC(C)[C@@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261822860 146283129 /nfs/dbraw/zinc/28/31/29/146283129.db2.gz PNUQARVOKLZYTJ-FUHWJXTLSA-N 2 2 317.477 2.559 10 0 DFAELP Cc1nc(COc2ccc(C[N@@H+]3C[C@H]([NH3+])[C@@H](C)C3)cc2)cs1 ZINC000262019092 146323205 /nfs/dbraw/zinc/32/32/05/146323205.db2.gz NADMSHCEJVKXCB-SJCJKPOMSA-N 2 2 317.458 2.810 10 0 DFAELP Cc1nc(COc2ccc(C[N@H+]3C[C@H]([NH3+])[C@@H](C)C3)cc2)cs1 ZINC000262019092 146323208 /nfs/dbraw/zinc/32/32/08/146323208.db2.gz NADMSHCEJVKXCB-SJCJKPOMSA-N 2 2 317.458 2.810 10 0 DFAELP COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc1OC(F)F ZINC000262582443 295131018 /nfs/dbraw/zinc/13/10/18/295131018.db2.gz ZEPHFVVYIYBPMR-WCQYABFASA-N 2 2 314.376 2.856 10 0 DFAELP COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc1OC(F)F ZINC000262582443 295131020 /nfs/dbraw/zinc/13/10/20/295131020.db2.gz ZEPHFVVYIYBPMR-WCQYABFASA-N 2 2 314.376 2.856 10 0 DFAELP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261822865 535084865 /nfs/dbraw/zinc/08/48/65/535084865.db2.gz PNUQARVOKLZYTJ-WMZOPIPTSA-N 2 2 317.477 2.559 10 0 DFAELP CC(C)[C@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261822865 535084870 /nfs/dbraw/zinc/08/48/70/535084870.db2.gz PNUQARVOKLZYTJ-WMZOPIPTSA-N 2 2 317.477 2.559 10 0 DFAELP CC(C)[NH2+]C[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076530579 185020095 /nfs/dbraw/zinc/02/00/95/185020095.db2.gz JXJCNUFOAPQOGM-LJQANCHMSA-N 3 2 315.505 2.971 10 0 DFAELP CC(C)[NH2+]C[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076530579 185020097 /nfs/dbraw/zinc/02/00/97/185020097.db2.gz JXJCNUFOAPQOGM-LJQANCHMSA-N 3 2 315.505 2.971 10 0 DFAELP COCC[N@H+]([C@H](C[NH3+])c1ccc(Br)cc1)C1CC1 ZINC000042517954 183279233 /nfs/dbraw/zinc/27/92/33/183279233.db2.gz MCHXFZNNQBKSPQ-CQSZACIVSA-N 2 2 313.239 2.560 10 0 DFAELP COCC[N@@H+]([C@H](C[NH3+])c1ccc(Br)cc1)C1CC1 ZINC000042517954 183279234 /nfs/dbraw/zinc/27/92/34/183279234.db2.gz MCHXFZNNQBKSPQ-CQSZACIVSA-N 2 2 313.239 2.560 10 0 DFAELP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](C)CCOC ZINC000042954384 183322359 /nfs/dbraw/zinc/32/23/59/183322359.db2.gz FUSCLSMRVZCVJL-KGLIPLIRSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](C)CCOC ZINC000042954384 183322362 /nfs/dbraw/zinc/32/23/62/183322362.db2.gz FUSCLSMRVZCVJL-KGLIPLIRSA-N 2 2 315.255 2.806 10 0 DFAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](CC)CCO ZINC000043021023 183330155 /nfs/dbraw/zinc/33/01/55/183330155.db2.gz FMYCXPSDYSMTTF-KBPBESRZSA-N 2 2 315.255 2.542 10 0 DFAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](CC)CCO ZINC000043021023 183330156 /nfs/dbraw/zinc/33/01/56/183330156.db2.gz FMYCXPSDYSMTTF-KBPBESRZSA-N 2 2 315.255 2.542 10 0 DFAELP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)sc1Br ZINC000261751709 146271072 /nfs/dbraw/zinc/27/10/72/146271072.db2.gz LHDWXZLKFWOEQO-GFCCVEGCSA-N 2 2 303.269 2.990 10 0 DFAELP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)sc1Br ZINC000261751709 146271075 /nfs/dbraw/zinc/27/10/75/146271075.db2.gz LHDWXZLKFWOEQO-GFCCVEGCSA-N 2 2 303.269 2.990 10 0 DFAELP CC1(C)C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000261763613 146272067 /nfs/dbraw/zinc/27/20/67/146272067.db2.gz VDFVIKPLXNRCFV-AWEZNQCLSA-N 2 2 310.825 2.670 10 0 DFAELP CC1(C)C[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000261763613 146272069 /nfs/dbraw/zinc/27/20/69/146272069.db2.gz VDFVIKPLXNRCFV-AWEZNQCLSA-N 2 2 310.825 2.670 10 0 DFAELP CC1(C)C[N@H+](Cc2csc(-c3ccccn3)n2)CC[C@H]1[NH3+] ZINC000261772064 146273528 /nfs/dbraw/zinc/27/35/28/146273528.db2.gz WEKQOPIAGZNARB-CQSZACIVSA-N 2 2 302.447 2.764 10 0 DFAELP CC1(C)C[N@@H+](Cc2csc(-c3ccccn3)n2)CC[C@H]1[NH3+] ZINC000261772064 146273529 /nfs/dbraw/zinc/27/35/29/146273529.db2.gz WEKQOPIAGZNARB-CQSZACIVSA-N 2 2 302.447 2.764 10 0 DFAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261824530 146282940 /nfs/dbraw/zinc/28/29/40/146282940.db2.gz YGNQYJXIBDVVAW-FZMZJTMJSA-N 2 2 309.841 2.726 10 0 DFAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261824530 146282944 /nfs/dbraw/zinc/28/29/44/146282944.db2.gz YGNQYJXIBDVVAW-FZMZJTMJSA-N 2 2 309.841 2.726 10 0 DFAELP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261848418 146289247 /nfs/dbraw/zinc/28/92/47/146289247.db2.gz RFUDBDQLGWBPRX-WFASDCNBSA-N 2 2 321.490 2.795 10 0 DFAELP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261848418 146289249 /nfs/dbraw/zinc/28/92/49/146289249.db2.gz RFUDBDQLGWBPRX-WFASDCNBSA-N 2 2 321.490 2.795 10 0 DFAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1Cl ZINC000262399896 146357159 /nfs/dbraw/zinc/35/71/59/146357159.db2.gz CDVWEICGRMXHNU-DOMZBBRYSA-N 2 2 323.868 2.576 10 0 DFAELP C[C@@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1Cl ZINC000262399896 146357162 /nfs/dbraw/zinc/35/71/62/146357162.db2.gz CDVWEICGRMXHNU-DOMZBBRYSA-N 2 2 323.868 2.576 10 0 DFAELP CC[N@@H+](Cc1ccc(F)cc1Br)C[C@@H](C)C(N)=[NH2+] ZINC000042446238 183271652 /nfs/dbraw/zinc/27/16/52/183271652.db2.gz DVIFDTHISZODEZ-SECBINFHSA-N 2 2 316.218 2.982 10 0 DFAELP CC[N@H+](Cc1ccc(F)cc1Br)C[C@@H](C)C(N)=[NH2+] ZINC000042446238 183271653 /nfs/dbraw/zinc/27/16/53/183271653.db2.gz DVIFDTHISZODEZ-SECBINFHSA-N 2 2 316.218 2.982 10 0 DFAELP C[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3Br)C2)C1 ZINC000042545549 183282644 /nfs/dbraw/zinc/28/26/44/183282644.db2.gz OHIYCZRUPRTBNO-OTTFEQOBSA-N 2 2 309.251 2.989 10 0 DFAELP C[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3Br)C2)C1 ZINC000042545549 183282646 /nfs/dbraw/zinc/28/26/46/183282646.db2.gz OHIYCZRUPRTBNO-OTTFEQOBSA-N 2 2 309.251 2.989 10 0 DFAELP CC(C)[N@H+](CCCO)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043021740 183329742 /nfs/dbraw/zinc/32/97/42/183329742.db2.gz MCASGTGZWUZSDU-CQSZACIVSA-N 2 2 315.255 2.542 10 0 DFAELP CC(C)[N@@H+](CCCO)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043021740 183329744 /nfs/dbraw/zinc/32/97/44/183329744.db2.gz MCASGTGZWUZSDU-CQSZACIVSA-N 2 2 315.255 2.542 10 0 DFAELP COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1OC(F)F ZINC000261618191 146248833 /nfs/dbraw/zinc/24/88/33/146248833.db2.gz CYKRRBGQNOWFCI-CYBMUJFWSA-N 2 2 314.376 2.856 10 0 DFAELP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1OC(F)F ZINC000261618191 146248834 /nfs/dbraw/zinc/24/88/34/146248834.db2.gz CYKRRBGQNOWFCI-CYBMUJFWSA-N 2 2 314.376 2.856 10 0 DFAELP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(OC(F)F)c1 ZINC000261626815 146249783 /nfs/dbraw/zinc/24/97/83/146249783.db2.gz DXUKTLKVWOSGLC-CQSZACIVSA-N 2 2 314.376 2.856 10 0 DFAELP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(OC(F)F)c1 ZINC000261626815 146249785 /nfs/dbraw/zinc/24/97/85/146249785.db2.gz DXUKTLKVWOSGLC-CQSZACIVSA-N 2 2 314.376 2.856 10 0 DFAELP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261639334 146250454 /nfs/dbraw/zinc/25/04/54/146250454.db2.gz GEGRNNKWMNJYSD-IUODEOHRSA-N 2 2 321.490 2.795 10 0 DFAELP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261639334 146250459 /nfs/dbraw/zinc/25/04/59/146250459.db2.gz GEGRNNKWMNJYSD-IUODEOHRSA-N 2 2 321.490 2.795 10 0 DFAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261645175 146252689 /nfs/dbraw/zinc/25/26/89/146252689.db2.gz DWFBSHVIDPYCTH-JKSUJKDBSA-N 2 2 317.477 2.998 10 0 DFAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261645175 146252693 /nfs/dbraw/zinc/25/26/93/146252693.db2.gz DWFBSHVIDPYCTH-JKSUJKDBSA-N 2 2 317.477 2.998 10 0 DFAELP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261848407 146289084 /nfs/dbraw/zinc/28/90/84/146289084.db2.gz RFUDBDQLGWBPRX-IUODEOHRSA-N 2 2 321.490 2.795 10 0 DFAELP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261848407 146289087 /nfs/dbraw/zinc/28/90/87/146289087.db2.gz RFUDBDQLGWBPRX-IUODEOHRSA-N 2 2 321.490 2.795 10 0 DFAELP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261848402 146289091 /nfs/dbraw/zinc/28/90/91/146289091.db2.gz RFUDBDQLGWBPRX-DOMZBBRYSA-N 2 2 321.490 2.795 10 0 DFAELP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261848402 146289093 /nfs/dbraw/zinc/28/90/93/146289093.db2.gz RFUDBDQLGWBPRX-DOMZBBRYSA-N 2 2 321.490 2.795 10 0 DFAELP CC1(C)C[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000261931901 146304696 /nfs/dbraw/zinc/30/46/96/146304696.db2.gz ZWCYSRUGSQXIAL-AWEZNQCLSA-N 2 2 320.387 2.914 10 0 DFAELP CC1(C)C[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000261931901 146304700 /nfs/dbraw/zinc/30/47/00/146304700.db2.gz ZWCYSRUGSQXIAL-AWEZNQCLSA-N 2 2 320.387 2.914 10 0 DFAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262315855 146350667 /nfs/dbraw/zinc/35/06/67/146350667.db2.gz QHGRRHZMBKRZSV-QFBILLFUSA-N 2 2 302.462 2.708 10 0 DFAELP COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1OC(F)F ZINC000262582449 286307838 /nfs/dbraw/zinc/30/78/38/286307838.db2.gz ZEPHFVVYIYBPMR-YPMHNXCESA-N 2 2 314.376 2.856 10 0 DFAELP COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1OC(F)F ZINC000262582449 286307839 /nfs/dbraw/zinc/30/78/39/286307839.db2.gz ZEPHFVVYIYBPMR-YPMHNXCESA-N 2 2 314.376 2.856 10 0 DFAELP Fc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC000306126441 534518534 /nfs/dbraw/zinc/51/85/34/534518534.db2.gz DWBTVFQJKRXGKY-ROUUACIJSA-N 2 2 311.404 2.785 10 0 DFAELP [NH2+]=C(NCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000307266449 398510927 /nfs/dbraw/zinc/51/09/27/398510927.db2.gz DFPFVOKCORKVCI-UHFFFAOYSA-N 2 2 308.429 2.529 10 0 DFAELP CCCc1cc(N2CC[NH2+]CC2)nc(-c2ccc(OC)cc2)[nH+]1 ZINC000070451634 190895272 /nfs/dbraw/zinc/89/52/72/190895272.db2.gz FJUPNWMQZLCMDJ-UHFFFAOYSA-N 2 2 312.417 2.514 10 0 DFAELP Brc1cccc(OCC[NH2+]CC[NH+]2CCCC2)c1 ZINC000041564859 183202772 /nfs/dbraw/zinc/20/27/72/183202772.db2.gz DADGKCHHLCLSPC-UHFFFAOYSA-N 2 2 313.239 2.513 10 0 DFAELP CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CC[N@H+](CC[NH3+])C1 ZINC000616613160 399490316 /nfs/dbraw/zinc/49/03/16/399490316.db2.gz YXEHWJUUHPVJED-AWEZNQCLSA-N 2 2 319.449 2.806 10 0 DFAELP CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000616613160 399490318 /nfs/dbraw/zinc/49/03/18/399490318.db2.gz YXEHWJUUHPVJED-AWEZNQCLSA-N 2 2 319.449 2.806 10 0 DFAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1ccc2nnccc2c1 ZINC000616679917 399497840 /nfs/dbraw/zinc/49/78/40/399497840.db2.gz HQGSBRMNNYUWGH-LJQANCHMSA-N 2 2 304.397 2.536 10 0 DFAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1ccc2nnccc2c1 ZINC000616679917 399497846 /nfs/dbraw/zinc/49/78/46/399497846.db2.gz HQGSBRMNNYUWGH-LJQANCHMSA-N 2 2 304.397 2.536 10 0 DFAELP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000261580407 146242871 /nfs/dbraw/zinc/24/28/71/146242871.db2.gz QALUUUJMDCAMQK-ZIAGYGMSSA-N 2 2 309.251 2.799 10 0 DFAELP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000261580407 146242873 /nfs/dbraw/zinc/24/28/73/146242873.db2.gz QALUUUJMDCAMQK-ZIAGYGMSSA-N 2 2 309.251 2.799 10 0 DFAELP CC1(C)C[N@H+](Cc2cc(O)ccc2Br)CC[C@H]1[NH3+] ZINC000261628753 146249640 /nfs/dbraw/zinc/24/96/40/146249640.db2.gz FCQAHRVVUZRQAT-CYBMUJFWSA-N 2 2 313.239 2.714 10 0 DFAELP CC1(C)C[N@@H+](Cc2cc(O)ccc2Br)CC[C@H]1[NH3+] ZINC000261628753 146249644 /nfs/dbraw/zinc/24/96/44/146249644.db2.gz FCQAHRVVUZRQAT-CYBMUJFWSA-N 2 2 313.239 2.714 10 0 DFAELP [NH3+][C@@H]1CCC[C@@H](CNc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000261650296 146254012 /nfs/dbraw/zinc/25/40/12/146254012.db2.gz JOMZCAZDWDLPLO-ZIAGYGMSSA-N 2 2 322.416 2.745 10 0 DFAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261824525 146282849 /nfs/dbraw/zinc/28/28/49/146282849.db2.gz YGNQYJXIBDVVAW-BXUZGUMPSA-N 2 2 309.841 2.726 10 0 DFAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261824525 146282851 /nfs/dbraw/zinc/28/28/51/146282851.db2.gz YGNQYJXIBDVVAW-BXUZGUMPSA-N 2 2 309.841 2.726 10 0 DFAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1C ZINC000261835995 146286299 /nfs/dbraw/zinc/28/62/99/146286299.db2.gz QFNCRGSIVUPNOV-GDBMZVCRSA-N 2 2 303.450 2.690 10 0 DFAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1C ZINC000261835995 146286300 /nfs/dbraw/zinc/28/63/00/146286300.db2.gz QFNCRGSIVUPNOV-GDBMZVCRSA-N 2 2 303.450 2.690 10 0 DFAELP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262572296 146373940 /nfs/dbraw/zinc/37/39/40/146373940.db2.gz XOBJPVRZCLALCE-MRXNPFEDSA-N 2 2 303.450 2.808 10 0 DFAELP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262572296 146373942 /nfs/dbraw/zinc/37/39/42/146373942.db2.gz XOBJPVRZCLALCE-MRXNPFEDSA-N 2 2 303.450 2.808 10 0 DFAELP Cc1cc(N2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000006734336 425629270 /nfs/dbraw/zinc/62/92/70/425629270.db2.gz RXROBDDGHLUUSP-UHFFFAOYSA-N 2 2 322.334 2.880 10 0 DFAELP CC(C)C[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)[NH+](C)C ZINC000037240952 278988591 /nfs/dbraw/zinc/98/85/91/278988591.db2.gz NUDADXCLTXHMMW-AWEZNQCLSA-N 2 2 309.420 2.579 10 0 DFAELP CCc1ccc(-c2noc(C[N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)n2)cc1 ZINC000261895259 536160123 /nfs/dbraw/zinc/16/01/23/536160123.db2.gz VYSAZQHTWHAYSO-HNNXBMFYSA-N 2 2 314.433 2.858 10 0 DFAELP CCc1ccc(-c2noc(C[N@H+]3CC[C@H]([NH3+])C(C)(C)C3)n2)cc1 ZINC000261895259 536160127 /nfs/dbraw/zinc/16/01/27/536160127.db2.gz VYSAZQHTWHAYSO-HNNXBMFYSA-N 2 2 314.433 2.858 10 0 DFAELP